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

C22H30N4 — CID 166211008

IUPACN-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCC(c1ccncc1)N1CCC(NC2CCCNc3ccccc32)CC1
InChIInChI=1S/C22H30N4/c1-17(18-8-13-23-14-9-18)26-15-10-19(11-16-26)25-22-7-4-12-24-21-6-3-2-5-20(21)22/h2-3,5-6,8-9,13-14,17,19,22,24-25H,4,7,10-12,15-16H2,1H3
InChIKeyWTFGSTZEIHLMRI-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.14
Rot. Bonds4

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

N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 166211008) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound NameN-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID166211008
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCC(c1ccncc1)N1CCC(NC2CCCNc3ccccc32)CC1
InChIInChI=1S/C22H30N4/c1-17(18-8-13-23-14-9-18)26-15-10-19(11-16-26)25-22-7-4-12-24-21-6-3-2-5-20(21)22/h2-3,5-6,8-9,13-14,17,19,22,24-25H,4,7,10-12,15-16H2,1H3
InChIKeyWTFGSTZEIHLMRI-UHFFFAOYSA-N
XLogP4.14
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 166211008) is N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is CC(c1ccncc1)N1CCC(NC2CCCNc3ccccc32)CC1.
What is the InChIKey of N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is WTFGSTZEIHLMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-17(18-8-13-23-14-9-18)26-15-10-19(11-16-26)25-22-7-4-12-24-21-6-3-2-5-20(21)22/h2-3,5-6,8-9,13-14,17,19,22,24-25H,4,7,10-12,15-16H2,1H3.
What are the key properties of N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 350.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 166211008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).