1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine

C102H142N10O2 — CID 161419883

IUPAC1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCc2ccccc2C1
InChIInChI=1S/C12H18N2.2C12H17NO.2C12H17N.2C11H15N.2C10H13N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3
InChIKeyVWOWZRUHKRPQQC-UHFFFAOYSA-N
MW1540.33 g/mol
LogP18.66
Rot. Bonds9

About 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine

1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 161419883) has the molecular formula C102H142N10O2 and a molecular weight of 1540.33 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID161419883
Molecular FormulaC102H142N10O2
Molecular Weight1540.33 g/mol
Exact Mass1539.13
IUPAC Name1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCc2ccccc2C1
InChIInChI=1S/C12H18N2.2C12H17NO.2C12H17N.2C11H15N.2C10H13N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3
InChIKeyVWOWZRUHKRPQQC-UHFFFAOYSA-N
XLogP18.66
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.33
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-[3-[2-[3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]piperidin-3-yl]oxypropan-2-ol
CID 145030812
1-ethyl-4-(4-methoxyphenyl)piperazine;1-(4-methoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline;9-(4-methoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 157072660
ethane;1-methyl-2,3-dihydro-1-benzazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;1-methyl-2,3-dihydroindole;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine;1-methyl-3,4,5,6-tetrahydro-2H-1-benzazocine;toluene
CID 157302616
N,N-dipentyl-4-propan-2-ylaniline;1-hexan-3-yloxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;N-(2-methylpropyl)-N-phenyl-4-propan-2-ylaniline;bis(1-pentyl-6-propan-2-yl-3,4-dihydro-2H-quinoline);7-propan-2-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 157812739
4-tert-butyl-2,3-dihydro-1,4-benzoxazine;1-tert-butyl-2,3-dihydroindole;2-tert-butyl-1,3-dihydroisoindole;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-3,4-dihydro-2H-quinoline
CID 157889118
ethane;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine;1-methyl-3,4,5,6-tetrahydro-2H-1-benzazocine
CID 158528982
4-acetyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;4-benzyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperazine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidine-1-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-phenylpyrrolidine-1-carboxamide
CID 158740260
1-methyl-3,5-dihydro-2H-4,1-benzoxazepine;4-methyl-3,5-dihydro-2H-1,4-benzoxazepine;4-methyl-2,3-dihydro-1,4-benzoxazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-2,3,4,5-tetrahydro-1-benzazepine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine;3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 158848156
4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-propan-2-yl-3,4-dihydro-2H-quinoline;4-propan-2-yl-2,3-dihydro-1H-quinoxaline;4-propan-2-yl-1,4-oxazepane
CID 159381652
1-methyl-4-propan-2-ylpiperazine;4-methyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylpyrrolidine;2-methylpropylbenzene;N-propan-2-ylaniline;4-propan-2-yl-3,4-dihydro-2H-pyran;4-propan-2-yl-3,6-dihydro-2H-pyran;4-propan-2-ylmorpholine;4-propan-2-yloxane;propan-2-yloxybenzene;1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
CID 159586253
2,5-dimethyl-6H-phenanthridine;1,6-dimethyl-8-phenyl-3,4-dihydro-2H-quinoline;1-ethenyl-5-methyl-2,3-dihydroindole;7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;6-methyl-1,4-diphenyl-2,3-dihydroquinoxaline;7-methyl-10-phenyl-1,2,3,4,4a,10a-hexahydrophenoxazine;8-methyl-5-phenyl-3,4-dihydro-2H-1,5-benzoxazepine;7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine;5-methyl-1-(1,2,2-triphenylethenyl)-2,3-dihydroindole
CID 160272634
CID 160722807
CID 160722807

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine (CID 161419883) is 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine is CN1CCC(Oc2ccccc2)CC1.CN1CCC(c2ccccc2)C1.CN1CCC(c2ccccc2)CC1.CN1CCCC(Oc2ccccc2)C1.CN1CCCC(c2ccccc2)C1.CN1CCCc2ccccc21.CN1CCCc2ccccc2C1.CN1CCN(Cc2ccccc2)CC1.CN1CCc2ccccc2C1.
What is the InChIKey of 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is VWOWZRUHKRPQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.2C12H17NO.2C12H17N.2C11H15N.2C10H13N/c1-13-7-9-14(10-8-13)11-12-5-3-2-4-6-12;1-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)14-11-5-3-2-4-6-11;1-13-9-5-8-12(10-13)11-6-3-2-4-7-11;1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-12-8-4-7-10-5-2-3-6-11(10)9-12;1-12-8-7-11(9-12)10-5-3-2-4-6-10;1-11-8-4-6-9-5-2-3-7-10(9)11;1-11-7-6-9-4-2-3-5-10(9)8-11/h2-6H,7-11H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-4,6-7,12H,5,8-10H2,1H3;2-6,12H,7-10H2,1H3;2-3,5-6H,4,7-9H2,1H3;2-6,11H,7-9H2,1H3;2-3,5,7H,4,6,8H2,1H3;2-5H,6-8H2,1H3.
What are the key properties of 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine?
1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 1540.33 g/mol, XLogP of 18.66, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperazine;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methyl-3-phenoxypiperidine;1-methyl-4-phenoxypiperidine;1-methyl-3-phenylpiperidine;1-methyl-4-phenylpiperidine;1-methyl-3-phenylpyrrolidine;2-methyl-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 161419883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).