3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile

C15H21N3 — CID 55248926

IUPAC3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
SMILESCN(C1CCCNC1)C(CC#N)c1ccccc1
InChIInChI=1S/C15H21N3/c1-18(14-8-5-11-17-12-14)15(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-9,11-12H2,1H3
InChIKeyQGYBTMBSGSTKAS-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.33
Rot. Bonds4

About 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile

3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile (PubChem CID 55248926) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
PubChem CID55248926
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile
SMILESCN(C1CCCNC1)C(CC#N)c1ccccc1
InChIInChI=1S/C15H21N3/c1-18(14-8-5-11-17-12-14)15(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-9,11-12H2,1H3
InChIKeyQGYBTMBSGSTKAS-UHFFFAOYSA-N
XLogP2.33
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenylpropanenitrile
CID 62780068
N-(1-phenylpropyl)-N-propylpiperidin-3-amine
CID 63638122
3-phenyl-3-[piperidin-4-yl(propyl)amino]propanenitrile
CID 62779229
N-ethyl-N-(1-phenylethyl)piperidin-3-amine
CID 63643629
N-ethyl-N-(3-phenylbutyl)piperidin-3-amine
CID 63636544
N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
(3R)-N-benzyl-N-propan-2-ylpiperidin-3-amine
CID 66569420
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-amine
CID 63641957
3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile?
The IUPAC name of 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile (CID 55248926) is 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile is CN(C1CCCNC1)C(CC#N)c1ccccc1.
What is the InChIKey of 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile?
The InChIKey is QGYBTMBSGSTKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18(14-8-5-11-17-12-14)15(9-10-16)13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-9,11-12H2,1H3.
What are the key properties of 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile?
3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile has a molecular weight of 243.35 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(piperidin-3-yl)amino]-3-phenylpropanenitrile is sourced from PubChem (CID 55248926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).