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

C13H23N3 — CID 65495407

IUPAC2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCC(CNCC2(CC#N)CC2)CC1
InChIInChI=1S/C13H23N3/c1-16-8-2-12(3-9-16)10-15-11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3
InChIKeySKHMDLVQFBQKDE-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.61
Rot. Bonds5

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

2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile (PubChem CID 65495407) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
PubChem CID65495407
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile
SMILESCN1CCC(CNCC2(CC#N)CC2)CC1
InChIInChI=1S/C13H23N3/c1-16-8-2-12(3-9-16)10-15-11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3
InChIKeySKHMDLVQFBQKDE-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 115244179
2-[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 79071412
2-[1-[[(3-hydroxycyclobutyl)methylamino]methyl]cyclopropyl]acetonitrile
CID 66005307
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-[1-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]cyclopropyl]acetonitrile
CID 65493823
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
1-cyano-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 80592650
2-[1-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 65496483
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
2-[1-[[(4-ethylmorpholin-2-yl)methylamino]methyl]cyclopropyl]acetonitrile
CID 114399825
1-[[(1-methylpyrrolidin-3-yl)methylamino]methyl]cycloheptan-1-ol
CID 54937597
2-[1-[(2-methylpropylamino)methyl]cyclopropyl]acetonitrile
CID 65481331

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile (CID 65495407) is 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile is CN1CCC(CNCC2(CC#N)CC2)CC1.
What is the InChIKey of 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile?
The InChIKey is SKHMDLVQFBQKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-16-8-2-12(3-9-16)10-15-11-13(4-5-13)6-7-14/h12,15H,2-6,8-11H2,1H3.
What are the key properties of 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile?
2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile has a molecular weight of 221.35 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 2-[1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65495407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).