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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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).