1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine

C17H26N2 — CID 104595146

IUPAC1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
SMILESCC1(CN2CCCCc3ccccc32)CCCCN1
InChIInChI=1S/C17H26N2/c1-17(11-5-6-12-18-17)14-19-13-7-4-9-15-8-2-3-10-16(15)19/h2-3,8,10,18H,4-7,9,11-14H2,1H3
InChIKeyRNMSSGHZQYUMBU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.36
Rot. Bonds2

About 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine

1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine (PubChem CID 104595146) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
PubChem CID104595146
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
SMILESCC1(CN2CCCCc3ccccc32)CCCCN1
InChIInChI=1S/C17H26N2/c1-17(11-5-6-12-18-17)14-19-13-7-4-9-15-8-2-3-10-16(15)19/h2-3,8,10,18H,4-7,9,11-14H2,1H3
InChIKeyRNMSSGHZQYUMBU-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpiperidin-2-yl)methyl]-1,3-dihydroisoindole
CID 104595002
1-[(2-propylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-quinoline
CID 106976204
2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
CID 82768575
[1-(3,4-dihydro-2H-quinolin-1-ylmethyl)cyclopentyl]methanamine
CID 55051906
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanol
CID 15488047
2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)azepane
CID 79117995
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
4-(2,3-dihydroindol-1-ylmethyl)piperidin-4-amine
CID 84736264
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
2-(3,4,5,6-tetrahydro-2H-1-benzazocin-1-yl)acetic acid
CID 119994270
2-[(2-chlorophenyl)methyl]-2-methylazepane
CID 79119375
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine?
The IUPAC name of 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine (CID 104595146) is 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine?
The canonical SMILES for 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine is CC1(CN2CCCCc3ccccc32)CCCCN1.
What is the InChIKey of 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine?
The InChIKey is RNMSSGHZQYUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-17(11-5-6-12-18-17)14-19-13-7-4-9-15-8-2-3-10-16(15)19/h2-3,8,10,18H,4-7,9,11-14H2,1H3.
What are the key properties of 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine?
1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine has a molecular weight of 258.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpiperidin-2-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 104595146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).