3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile

C16H23N3 — CID 64538451

IUPAC3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
SMILESCN1CCCC(CNCC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H23N3/c1-19-9-5-6-14(13-19)11-18-12-16(10-17)15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9,11-13H2,1H3
InChIKeyHFSDPZJABHYTFA-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.23
Rot. Bonds5

About 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile

3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile (PubChem CID 64538451) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
PubChem CID64538451
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile
SMILESCN1CCCC(CNCC(C#N)c2ccccc2)C1
InChIInChI=1S/C16H23N3/c1-19-9-5-6-14(13-19)11-18-12-16(10-17)15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9,11-13H2,1H3
InChIKeyHFSDPZJABHYTFA-UHFFFAOYSA-N
XLogP2.23
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethylamino)-2-phenylpropanenitrile
CID 64538638
(1R)-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethanamine
CID 81350574
1-(2,2-diphenylethyl)-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111766727
3-(oxolan-2-ylmethylamino)-2-phenylpropanenitrile
CID 64533582
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
3-(3-ethylpiperidin-1-yl)-2-phenylpropanenitrile
CID 64536940
3-[2-(3-methylcyclohexyl)ethylamino]-2-phenylpropanenitrile
CID 64536641
N',N'-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-phenylethane-1,2-diamine
CID 62656324
3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
3-[[1-(dimethylamino)cyclobutyl]methylamino]-2-phenylpropanenitrile
CID 105416496
3-[(1-methylpyrrolidin-3-yl)methylamino]-3-phenylpropanenitrile
CID 55117722
N'-methyl-N-[(1-methylpiperidin-3-yl)methyl]-N'-phenylpropane-1,3-diamine
CID 62655954

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile (CID 64538451) is 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile is CN1CCCC(CNCC(C#N)c2ccccc2)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile?
The InChIKey is HFSDPZJABHYTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-9-5-6-14(13-19)11-18-12-16(10-17)15-7-3-2-4-8-15/h2-4,7-8,14,16,18H,5-6,9,11-13H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile?
3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile has a molecular weight of 257.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methylamino]-2-phenylpropanenitrile is sourced from PubChem (CID 64538451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).