N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

C22H30N4 — CID 166242704

IUPACN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESc1ccc2c(c1)NCCCC2NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H30N4/c1-2-5-21-20(4-1)22(6-3-11-24-21)25-16-18-9-14-26(15-10-18)17-19-7-12-23-13-8-19/h1-2,4-5,7-8,12-13,18,22,24-25H,3,6,9-11,14-17H2
InChIKeyAKPWVBMKNZVPRE-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.83
Rot. Bonds5

About N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 166242704) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID166242704
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESc1ccc2c(c1)NCCCC2NCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C22H30N4/c1-2-5-21-20(4-1)22(6-3-11-24-21)25-16-18-9-14-26(15-10-18)17-19-7-12-23-13-8-19/h1-2,4-5,7-8,12-13,18,22,24-25H,3,6,9-11,14-17H2
InChIKeyAKPWVBMKNZVPRE-UHFFFAOYSA-N
XLogP3.83
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine with MolForge

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Related Compounds

(5R)-N-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 99798826
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 166257400
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
2-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methoxy]pyridine
CID 166602497
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 166211008
4-[[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methyl]pyridine
CID 95871341
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 166242704) is N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is c1ccc2c(c1)NCCCC2NCC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is AKPWVBMKNZVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-2-5-21-20(4-1)22(6-3-11-24-21)25-16-18-9-14-26(15-10-18)17-19-7-12-23-13-8-19/h1-2,4-5,7-8,12-13,18,22,24-25H,3,6,9-11,14-17H2.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 350.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 166242704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).