2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile

C21H29N3 — CID 118292287

IUPAC2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C21H29N3/c22-12-11-21(9-4-10-21)24-13-7-17(8-14-24)16-23-20-15-19(20)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,23H,4,7-11,13-16H2
InChIKeyRRYIYTAJBSSOPL-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.68
Rot. Bonds6

About 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile

2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile (PubChem CID 118292287) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile
PubChem CID118292287
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile
SMILESN#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CCC1
InChIInChI=1S/C21H29N3/c22-12-11-21(9-4-10-21)24-13-7-17(8-14-24)16-23-20-15-19(20)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,23H,4,7-11,13-16H2
InChIKeyRRYIYTAJBSSOPL-UHFFFAOYSA-N
XLogP3.68
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Diphenylmethylpiperidine
CID 160506
Iadademstat
CID 71543365
Emopamil
CID 25202343
Gsk-lsd1
CID 71522234
GSK-LSD1 Dihydrochloride
CID 91663353
(S)-3-Piperidin-3-yl-benzonitrile
CID 10397550
3-((S)-1-Cyclopropylmethyl-piperidin-3-yl)-benzonitrile
CID 10037311
N-(2,2-diphenylethyl)-1-propyl-piperidin-4-amine
CID 2846415
trans-(1S,2R)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 60203904
N-(2-phenylcyclopropyl)piperidin-4-amine
CID 61815034
[trans-2-Phenylcyclopropyl](4-piperidinylmethyl)amine
CID 66571530
trans-(1R,2S)-N-[(1-benzylpiperidin-4-yl)methyl]-2-phenylcyclopropan-1-amine
CID 66571532

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile?
The IUPAC name of 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile (CID 118292287) is 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile.
What is the SMILES notation for 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile?
The canonical SMILES for 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile is N#CCC1(N2CCC(CNC3CC3c3ccccc3)CC2)CCC1.
What is the InChIKey of 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile?
The InChIKey is RRYIYTAJBSSOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c22-12-11-21(9-4-10-21)24-13-7-17(8-14-24)16-23-20-15-19(20)18-5-2-1-3-6-18/h1-3,5-6,17,19-20,23H,4,7-11,13-16H2.
What are the key properties of 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile?
2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile has a molecular weight of 323.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]cyclobutyl]acetonitrile is sourced from PubChem (CID 118292287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).