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

C18H25N3 — CID 118290205

IUPAC2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
SMILESCN1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H25N3/c1-21-11-8-18(7-10-19,9-12-21)14-20-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,20H,7-9,11-14H2,1H3
InChIKeyCWBMYBXPJDAXSP-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.76
Rot. Bonds5

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

2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile (PubChem CID 118290205) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
PubChem CID118290205
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile
SMILESCN1CCC(CC#N)(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C18H25N3/c1-21-11-8-18(7-10-19,9-12-21)14-20-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,20H,7-9,11-14H2,1H3
InChIKeyCWBMYBXPJDAXSP-UHFFFAOYSA-N
XLogP2.76
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile (CID 118290205) is 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile is CN1CCC(CC#N)(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
The InChIKey is CWBMYBXPJDAXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21-11-8-18(7-10-19,9-12-21)14-20-17-13-16(17)15-5-3-2-4-6-15/h2-6,16-17,20H,7-9,11-14H2,1H3.
What are the key properties of 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile?
2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile has a molecular weight of 283.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-4-yl]acetonitrile is sourced from PubChem (CID 118290205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).