1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone

C20H30N2O — CID 95119683

IUPAC1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C[C@@]2(c3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C20H30N2O/c1-16(23)22-12-10-18(11-13-22)21(4)15-20(14-19(20,2)3)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3/t20-/m1/s1
InChIKeyXWHOLQXSNYLKDQ-HXUWFJFHSA-N
MW314.47 g/mol
LogP3.30
Rot. Bonds4

About 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone

1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone (PubChem CID 95119683) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone
PubChem CID95119683
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N(C)C[C@@]2(c3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C20H30N2O/c1-16(23)22-12-10-18(11-13-22)21(4)15-20(14-19(20,2)3)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3/t20-/m1/s1
InChIKeyXWHOLQXSNYLKDQ-HXUWFJFHSA-N
XLogP3.30
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone (CID 95119683) is 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N(C)C[C@@]2(c3ccccc3)CC2(C)C)CC1.
What is the InChIKey of 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone?
The InChIKey is XWHOLQXSNYLKDQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O/c1-16(23)22-12-10-18(11-13-22)21(4)15-20(14-19(20,2)3)17-8-6-5-7-9-17/h5-9,18H,10-15H2,1-4H3/t20-/m1/s1.
What are the key properties of 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone?
1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1S)-2,2-dimethyl-1-phenylcyclopropyl]methyl-methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 95119683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).