3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile

C12H22N2 — CID 142908728

IUPAC3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
SMILESCC(C)CC1CCN(CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-11(2)10-12-4-8-14(9-5-12)7-3-6-13/h11-12H,3-5,7-10H2,1-2H3
InChIKeyOBFSBHMFAVJCBK-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.66
Rot. Bonds4

About 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile

3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile (PubChem CID 142908728) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
PubChem CID142908728
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile
SMILESCC(C)CC1CCN(CCC#N)CC1
InChIInChI=1S/C12H22N2/c1-11(2)10-12-4-8-14(9-5-12)7-3-6-13/h11-12H,3-5,7-10H2,1-2H3
InChIKeyOBFSBHMFAVJCBK-UHFFFAOYSA-N
XLogP2.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]propanenitrile
CID 63597136
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanenitrile
CID 60970004
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
3-[4-(dimethylamino)piperidin-1-yl]propanenitrile
CID 43430781
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
methoxymethane;4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 176666593
5-[4-(hydroxymethyl)piperidin-1-yl]pentanenitrile
CID 53418278
[1-(2-cyanoethyl)piperidin-4-yl] hypoiodite
CID 138600618
3-[3-(2-chloroethyl)pyrrolidin-1-yl]propanenitrile
CID 12612443

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile (CID 142908728) is 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile is CC(C)CC1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile?
The InChIKey is OBFSBHMFAVJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)10-12-4-8-14(9-5-12)7-3-6-13/h11-12H,3-5,7-10H2,1-2H3.
What are the key properties of 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile?
3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile has a molecular weight of 194.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperidin-1-yl]propanenitrile is sourced from PubChem (CID 142908728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).