1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine

C16H25ClN2 — CID 3902655

IUPAC1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
SMILESCCC(C)N1CCC(Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H25ClN2/c1-4-12(2)19-10-8-14(9-11-19)18-16-7-5-6-15(17)13(16)3/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyDYRFPAFKWVAXLM-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.32
Rot. Bonds4

About 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine

1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine (PubChem CID 3902655) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
PubChem CID3902655
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine
SMILESCCC(C)N1CCC(Nc2cccc(Cl)c2C)CC1
InChIInChI=1S/C16H25ClN2/c1-4-12(2)19-10-8-14(9-11-19)18-16-7-5-6-15(17)13(16)3/h5-7,12,14,18H,4,8-11H2,1-3H3
InChIKeyDYRFPAFKWVAXLM-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
N-(3-chloro-2-methylphenyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758624
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
N-(3-chloro-2-methylphenyl)-1,1-dioxothian-4-amine
CID 43511461
N-(3-chloro-2-methylphenyl)-4-propylcycloheptan-1-amine
CID 65087052
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 3931119
2-methyl-3-[(1-propan-2-ylpiperidin-4-yl)amino]benzoic acid
CID 43737247
[4-(3-chloro-2-methylanilino)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 3930106
N-(3-chloro-2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43758617
N-(2,3-dichlorophenyl)-1-ethylazepan-4-amine
CID 65074283
3-chloro-N-(1-cyclopropylethyl)-2-methylaniline
CID 43192017

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine?
The IUPAC name of 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine (CID 3902655) is 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine.
What is the SMILES notation for 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine?
The canonical SMILES for 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine is CCC(C)N1CCC(Nc2cccc(Cl)c2C)CC1.
What is the InChIKey of 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine?
The InChIKey is DYRFPAFKWVAXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-4-12(2)19-10-8-14(9-11-19)18-16-7-5-6-15(17)13(16)3/h5-7,12,14,18H,4,8-11H2,1-3H3.
What are the key properties of 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine?
1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine has a molecular weight of 280.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(3-chloro-2-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 3902655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).