2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile

C12H20N2 — CID 65495067

IUPAC2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H20N2/c1-11-3-2-8-14(9-11)10-12(4-5-12)6-7-13/h11H,2-6,8-10H2,1H3
InChIKeyNLIKTFSIBDMHOE-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.41
Rot. Bonds3

About 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65495067) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65495067
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESCC1CCCN(CC2(CC#N)CC2)C1
InChIInChI=1S/C12H20N2/c1-11-3-2-8-14(9-11)10-12(4-5-12)6-7-13/h11H,2-6,8-10H2,1H3
InChIKeyNLIKTFSIBDMHOE-UHFFFAOYSA-N
XLogP2.41
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidine
CID 167196358
3-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]butanoic acid
CID 81046821
2-[1-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65494259
2-[1-[[1-(cyanomethyl)cyclopropyl]methyl]piperidin-3-yl]acetic acid
CID 65496326
2-[1-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 66291202
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopropyl]acetonitrile
CID 115559887
2-[1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]cyclopropyl]acetonitrile
CID 65496978
2-[1-[(3,3-dimethylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65492809
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
[4-[(3-methylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 62391715
1-[[1-(cyanomethyl)cyclopropyl]methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65496329
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65495067) is 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile is CC1CCCN(CC2(CC#N)CC2)C1.
What is the InChIKey of 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is NLIKTFSIBDMHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-11-3-2-8-14(9-11)10-12(4-5-12)6-7-13/h11H,2-6,8-10H2,1H3.
What are the key properties of 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylpiperidin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).