4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile

C21H26N4 — CID 71173513

IUPAC4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile
SMILESN#CC(CCN)(c1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4/c22-11-10-21(17-23,20-7-4-12-24-15-20)19-8-13-25(14-9-19)16-18-5-2-1-3-6-18/h1-7,12,15,19H,8-11,13-14,16,22H2
InChIKeyYRZCTBPTAOAJMS-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.10
Rot. Bonds6

About 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile

4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile (PubChem CID 71173513) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile.

Molecular Properties

Compound Name4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile
PubChem CID71173513
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile
SMILESN#CC(CCN)(c1cccnc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N4/c22-11-10-21(17-23,20-7-4-12-24-15-20)19-8-13-25(14-9-19)16-18-5-2-1-3-6-18/h1-7,12,15,19H,8-11,13-14,16,22H2
InChIKeyYRZCTBPTAOAJMS-UHFFFAOYSA-N
XLogP3.10
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757
(1-benzylpiperidin-4-yl)-diphenylmethanamine
CID 154244173
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035
(2S)-2-(1-benzylpiperidin-4-yl)-2-[(1S,2R)-2-hydroxycyclopentyl]-2-phenylacetonitrile
CID 146168054
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-pyridin-3-ylthiourea
CID 10316141
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile?
The IUPAC name of 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile (CID 71173513) is 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile.
What is the SMILES notation for 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile?
The canonical SMILES for 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile is N#CC(CCN)(c1cccnc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile?
The InChIKey is YRZCTBPTAOAJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c22-11-10-21(17-23,20-7-4-12-24-15-20)19-8-13-25(14-9-19)16-18-5-2-1-3-6-18/h1-7,12,15,19H,8-11,13-14,16,22H2.
What are the key properties of 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile?
4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile has a molecular weight of 334.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(1-benzylpiperidin-4-yl)-2-pyridin-3-ylbutanenitrile is sourced from PubChem (CID 71173513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).