1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine

C16H25ClN2 — CID 58625280

IUPAC1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-12(2)10-15(18)14-11-13(17)6-7-16(14)19-8-4-3-5-9-19/h6-7,11-12,15H,3-5,8-10,18H2,1-2H3
InChIKeyJFFPZYBTNMORJF-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine

1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine (PubChem CID 58625280) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine
PubChem CID58625280
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cc(Cl)ccc1N1CCCCC1
InChIInChI=1S/C16H25ClN2/c1-12(2)10-15(18)14-11-13(17)6-7-16(14)19-8-4-3-5-9-19/h6-7,11-12,15H,3-5,8-10,18H2,1-2H3
InChIKeyJFFPZYBTNMORJF-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(5-chloro-2-piperidin-1-ylphenyl)-cyclohexylmethanamine
CID 125466626
methyl 2-(5-chloro-2-piperidin-1-ylphenyl)-2-hydroxyacetate
CID 117456058
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
1-(5-chloro-2-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934210
1-(5-fluoro-2-pyrrolidin-1-ylphenyl)ethanamine
CID 43188715
2-(5-chloro-2-piperidin-1-ylphenyl)ethanamine
CID 114860401
2-(azepan-1-yl)-4-chloroaniline
CID 79688976
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-(4-chloro-2-iodophenyl)azepane
CID 107641046

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine (CID 58625280) is 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine is CC(C)CC(N)c1cc(Cl)ccc1N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine?
The InChIKey is JFFPZYBTNMORJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-12(2)10-15(18)14-11-13(17)6-7-16(14)19-8-4-3-5-9-19/h6-7,11-12,15H,3-5,8-10,18H2,1-2H3.
What are the key properties of 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine?
1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine has a molecular weight of 280.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-piperidin-1-ylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 58625280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).