N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine

C16H25ClN2 — CID 43234109

IUPACN-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
SMILESCC(C)C(NC1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-12(2)16(13-4-6-14(17)7-5-13)18-15-8-10-19(3)11-9-15/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyKSOHKZZGBABQKN-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.72
Rot. Bonds4

About N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine

N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine (PubChem CID 43234109) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
PubChem CID43234109
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
SMILESCC(C)C(NC1CCN(C)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2/c1-12(2)16(13-4-6-14(17)7-5-13)18-15-8-10-19(3)11-9-15/h4-7,12,15-16,18H,8-11H2,1-3H3
InChIKeyKSOHKZZGBABQKN-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-chlorophenyl)-2-methylpropyl]-1,1-dioxothian-4-amine
CID 43687632
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1-tert-butyl-N-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 60931192
1-[4-[[(1S)-1-(4-chlorophenyl)ethyl]amino]piperidin-1-yl]ethanone
CID 81352402
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
5-chloro-N-(2-methyl-1-phenylpropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348805
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine (CID 43234109) is N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine is CC(C)C(NC1CCN(C)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine?
The InChIKey is KSOHKZZGBABQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(2)16(13-4-6-14(17)7-5-13)18-15-8-10-19(3)11-9-15/h4-7,12,15-16,18H,8-11H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine?
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine has a molecular weight of 280.84 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 43234109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).