cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone

C16H20Cl2N2O — CID 43434750

IUPACcyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-2-1-3-15(18)13(14)10-19-12-6-8-20(9-7-12)16(21)11-4-5-11/h1-3,11-12,19H,4-10H2
InChIKeyILLARKRWDJFWGQ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.48
Rot. Bonds4

About cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone (PubChem CID 43434750) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
PubChem CID43434750
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Namecyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H20Cl2N2O/c17-14-2-1-3-15(18)13(14)10-19-12-6-8-20(9-7-12)16(21)11-4-5-11/h1-3,11-12,19H,4-10H2
InChIKeyILLARKRWDJFWGQ-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-[(2-hydroxyphenyl)methylamino]piperidin-1-yl]methanone
CID 43747864
1-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434834
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[4-[(3,5-dichlorophenyl)methylamino]piperidin-1-yl]methanone
CID 60789546
[4-[(3-bromo-4-chlorophenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 83232075
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
cyclopropyl-[4-(thiophen-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434770
1-[4-[(2,3,6-trichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43234694
1-[4-[(2,3-dichlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43224238
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
cyclopropyl-[4-[(4-phenylphenyl)methylamino]piperidin-1-yl]methanone;hydrochloride
CID 56808716
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone (CID 43434750) is cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone?
The InChIKey is ILLARKRWDJFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c17-14-2-1-3-15(18)13(14)10-19-12-6-8-20(9-7-12)16(21)11-4-5-11/h1-3,11-12,19H,4-10H2.
What are the key properties of cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone has a molecular weight of 327.25 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(2,6-dichlorophenyl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43434750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).