1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol

C17H27N3O — CID 82074067

IUPAC1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCN1CCCc2cc(C(O)CCN3CCNCC3)ccc21
InChIInChI=1S/C17H27N3O/c1-19-9-2-3-14-13-15(4-5-16(14)19)17(21)6-10-20-11-7-18-8-12-20/h4-5,13,17-18,21H,2-3,6-12H2,1H3
InChIKeyUXVGOQDTPZAQMM-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.40
Rot. Bonds4

About 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol

1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol (PubChem CID 82074067) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
PubChem CID82074067
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol
SMILESCN1CCCc2cc(C(O)CCN3CCNCC3)ccc21
InChIInChI=1S/C17H27N3O/c1-19-9-2-3-14-13-15(4-5-16(14)19)17(21)6-10-20-11-7-18-8-12-20/h4-5,13,17-18,21H,2-3,6-12H2,1H3
InChIKeyUXVGOQDTPZAQMM-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103005986
3-amino-1-(1-methyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 79138292
4-methoxy-4-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)pentan-1-ol
CID 103035119
1-(4-fluorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 82073403
2-(3-fluorophenyl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 63896170
2-(5-bromothiophen-2-yl)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethanol
CID 65151077
1-(3-amino-4-methoxyphenyl)-3-(1,4-diazepan-1-yl)propan-1-ol
CID 82135890
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1,3-thiazol-5-yl)ethanol
CID 112641845
1-methyl-2-[(1R)-1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]hydrazine
CID 59760276
1-(1-methylpyrrol-3-yl)-3-piperazin-1-ylpropan-1-ol
CID 82287228
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol (CID 82074067) is 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol is CN1CCCc2cc(C(O)CCN3CCNCC3)ccc21.
What is the InChIKey of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol?
The InChIKey is UXVGOQDTPZAQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-9-2-3-14-13-15(4-5-16(14)19)17(21)6-10-20-11-7-18-8-12-20/h4-5,13,17-18,21H,2-3,6-12H2,1H3.
What are the key properties of 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol?
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82074067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).