3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile

C12H23N3 — CID 80554495

IUPAC3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CC1CCCNC1
InChIInChI=1S/C12H23N3/c1-11(2)15(8-4-6-13)10-12-5-3-7-14-9-12/h11-12,14H,3-5,7-10H2,1-2H3
InChIKeyNDIGARLNEBFUDP-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile

3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile (PubChem CID 80554495) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
PubChem CID80554495
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CC1CCCNC1
InChIInChI=1S/C12H23N3/c1-11(2)15(8-4-6-13)10-12-5-3-7-14-9-12/h11-12,14H,3-5,7-10H2,1-2H3
InChIKeyNDIGARLNEBFUDP-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylpent-3-yn-1-amine
CID 106638166
3-[methyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554591
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
4-[piperidin-3-ylmethyl(propyl)amino]butanenitrile
CID 106640658
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
3-[2-methoxyethyl(piperidin-3-ylmethyl)amino]propanenitrile
CID 80554321
N-(piperidin-3-ylmethyl)-N-[2-(trifluoromethoxy)ethyl]propan-2-amine
CID 106637776
2-methoxy-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 103815885
3-[ethyl(piperidin-3-ylmethyl)amino]pentanenitrile
CID 106638814
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62674909
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
N-cyclopropyl-3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanamide
CID 106637897

Frequently Asked Questions

What is the IUPAC name of 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile (CID 80554495) is 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile is CC(C)N(CCC#N)CC1CCCNC1.
What is the InChIKey of 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile?
The InChIKey is NDIGARLNEBFUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-11(2)15(8-4-6-13)10-12-5-3-7-14-9-12/h11-12,14H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile?
3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[piperidin-3-ylmethyl(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 80554495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).