2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile

C12H23N3 — CID 115253873

IUPAC2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
SMILESCCC(C#N)CNCC1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-3-11(8-13)9-14-10-12-4-6-15(2)7-5-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyNYYQUCIUYTUHCN-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.47
Rot. Bonds5

About 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile

2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile (PubChem CID 115253873) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
PubChem CID115253873
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile
SMILESCCC(C#N)CNCC1CCN(C)CC1
InChIInChI=1S/C12H23N3/c1-3-11(8-13)9-14-10-12-4-6-15(2)7-5-12/h11-12,14H,3-7,9-10H2,1-2H3
InChIKeyNYYQUCIUYTUHCN-UHFFFAOYSA-N
XLogP1.47
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanoic acid
CID 115249968
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butan-1-ol
CID 115250861
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 64583444
2-(methylamino)-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
CID 115256154
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
2-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55135059
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
(2S)-1-[(1-methylpyrrolidin-3-yl)methylamino]propan-2-ol
CID 106931881
2-[4-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 63847362
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65495407

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile?
The IUPAC name of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile (CID 115253873) is 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile.
What is the SMILES notation for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile?
The canonical SMILES for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile is CCC(C#N)CNCC1CCN(C)CC1.
What is the InChIKey of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile?
The InChIKey is NYYQUCIUYTUHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-11(8-13)9-14-10-12-4-6-15(2)7-5-12/h11-12,14H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile?
2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpiperidin-4-yl)methylamino]methyl]butanenitrile is sourced from PubChem (CID 115253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).