2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile

C17H23N3 — CID 83991978

IUPAC2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile
SMILESCc1cccc(C2CC(NC3CC3)CN(CC#N)C2)c1
InChIInChI=1S/C17H23N3/c1-13-3-2-4-14(9-13)15-10-17(19-16-5-6-16)12-20(11-15)8-7-18/h2-4,9,15-17,19H,5-6,8,10-12H2,1H3
InChIKeyFASMAAVWGJTGMC-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.43
Rot. Bonds4

About 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile

2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile (PubChem CID 83991978) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile
PubChem CID83991978
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile
SMILESCc1cccc(C2CC(NC3CC3)CN(CC#N)C2)c1
InChIInChI=1S/C17H23N3/c1-13-3-2-4-14(9-13)15-10-17(19-16-5-6-16)12-20(11-15)8-7-18/h2-4,9,15-17,19H,5-6,8,10-12H2,1H3
InChIKeyFASMAAVWGJTGMC-UHFFFAOYSA-N
XLogP2.43
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-ethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83999044
1-ethyl-N-[3-(3-methylphenyl)cyclobutyl]piperidin-4-amine
CID 61039134
N-[3-(3-methylphenyl)cyclobutyl]cyclopentanamine
CID 43632705
N,1-diethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83990215
2-[3-(cyclobutylmethylamino)-5-(4-methylphenyl)piperidin-1-yl]acetonitrile
CID 83997512
N,1-dimethyl-5-(3-methylphenyl)piperidin-3-amine
CID 83989556
methyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112543541
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
ethyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112544182
N-cyclohexyl-1-ethyl-5-phenylpiperidin-3-amine
CID 83999040
2-[3-benzyl-5-(cyclohexylamino)piperidin-1-yl]acetonitrile
CID 83999569
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile?
The IUPAC name of 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile (CID 83991978) is 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile.
What is the SMILES notation for 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile?
The canonical SMILES for 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile is Cc1cccc(C2CC(NC3CC3)CN(CC#N)C2)c1.
What is the InChIKey of 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile?
The InChIKey is FASMAAVWGJTGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-3-2-4-14(9-13)15-10-17(19-16-5-6-16)12-20(11-15)8-7-18/h2-4,9,15-17,19H,5-6,8,10-12H2,1H3.
What are the key properties of 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile?
2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile has a molecular weight of 269.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-5-(3-methylphenyl)piperidin-1-yl]acetonitrile is sourced from PubChem (CID 83991978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).