7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

C22H29ClN4 — CID 58495632

IUPAC7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESClc1ccc2c(c1NCc1ccc(CN3CCCCC3)nc1)CCNCC2
InChIInChI=1S/C22H29ClN4/c23-21-7-5-18-8-10-24-11-9-20(18)22(21)26-15-17-4-6-19(25-14-17)16-27-12-2-1-3-13-27/h4-7,14,24,26H,1-3,8-13,15-16H2
InChIKeyGJBGUFGXJGWAFQ-UHFFFAOYSA-N
MW384.96 g/mol
LogP4.02
Rot. Bonds5

About 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine

7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (PubChem CID 58495632) has the molecular formula C22H29ClN4 and a molecular weight of 384.96 g/mol. Its IUPAC name is 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.

Molecular Properties

Compound Name7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
PubChem CID58495632
Molecular FormulaC22H29ClN4
Molecular Weight384.96 g/mol
Exact Mass384.21
IUPAC Name7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine
SMILESClc1ccc2c(c1NCc1ccc(CN3CCCCC3)nc1)CCNCC2
InChIInChI=1S/C22H29ClN4/c23-21-7-5-18-8-10-24-11-9-20(18)22(21)26-15-17-4-6-19(25-14-17)16-27-12-2-1-3-13-27/h4-7,14,24,26H,1-3,8-13,15-16H2
InChIKeyGJBGUFGXJGWAFQ-UHFFFAOYSA-N
XLogP4.02
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.96
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The IUPAC name of 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine (CID 58495632) is 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine.
What is the SMILES notation for 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The canonical SMILES for 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is Clc1ccc2c(c1NCc1ccc(CN3CCCCC3)nc1)CCNCC2.
What is the InChIKey of 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
The InChIKey is GJBGUFGXJGWAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4/c23-21-7-5-18-8-10-24-11-9-20(18)22(21)26-15-17-4-6-19(25-14-17)16-27-12-2-1-3-13-27/h4-7,14,24,26H,1-3,8-13,15-16H2.
What are the key properties of 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine?
7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine has a molecular weight of 384.96 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[[6-(piperidin-1-ylmethyl)-3-pyridinyl]methyl]-2,3,4,5-tetrahydro-1H-3-benzazepin-6-amine is sourced from PubChem (CID 58495632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).