4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile

C16H21N3 — CID 43747011

IUPAC4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H21N3/c17-11-13-1-3-14(4-2-13)12-18-15-7-9-19(10-8-15)16-5-6-16/h1-4,15-16,18H,5-10,12H2
InChIKeyIWEIFBSVFJLTMF-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds4

About 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile

4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile (PubChem CID 43747011) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
PubChem CID43747011
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
SMILESN#Cc1ccc(CNC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H21N3/c17-11-13-1-3-14(4-2-13)12-18-15-7-9-19(10-8-15)16-5-6-16/h1-4,15-16,18H,5-10,12H2
InChIKeyIWEIFBSVFJLTMF-UHFFFAOYSA-N
XLogP2.27
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
4-[[(1-methylazepan-4-yl)amino]methyl]benzonitrile
CID 65070687
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
CID 65340659
4-[[[(3S)-pyrrolidin-3-yl]amino]methyl]benzonitrile
CID 86331368
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
4-[[[1-(2-methylpropanoyl)piperidin-4-yl]amino]methyl]benzonitrile
CID 43747785
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
CID 90423096
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203012
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
4-[[(3-methylcyclopentyl)amino]methyl]benzonitrile
CID 64501741

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile (CID 43747011) is 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile is N#Cc1ccc(CNC2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile?
The InChIKey is IWEIFBSVFJLTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-11-13-1-3-14(4-2-13)12-18-15-7-9-19(10-8-15)16-5-6-16/h1-4,15-16,18H,5-10,12H2.
What are the key properties of 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile?
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile has a molecular weight of 255.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 43747011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).