1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

C17H27ClN2O — CID 79060283

IUPAC1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(Cl)ccc1OC)N1CCCCC1
InChIInChI=1S/C17H27ClN2O/c1-4-17(2,20-10-6-5-7-11-20)16(19)14-12-13(18)8-9-15(14)21-3/h8-9,12,16H,4-7,10-11,19H2,1-3H3
InChIKeyDFAZPXVHIWMZNW-UHFFFAOYSA-N
MW310.87 g/mol
LogP4.00
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine

1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (PubChem CID 79060283) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
PubChem CID79060283
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
SMILESCCC(C)(C(N)c1cc(Cl)ccc1OC)N1CCCCC1
InChIInChI=1S/C17H27ClN2O/c1-4-17(2,20-10-6-5-7-11-20)16(19)14-12-13(18)8-9-15(14)21-3/h8-9,12,16H,4-7,10-11,19H2,1-3H3
InChIKeyDFAZPXVHIWMZNW-UHFFFAOYSA-N
XLogP4.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 130039782
1-(5-chloro-2-methoxyphenyl)-2-ethoxy-2-methylpropan-1-amine
CID 116726239
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
(5-chloro-2-methoxyphenyl)-cycloheptylmethanamine
CID 65399712
2-methyl-2-pyrrolidin-1-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79068641
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171244642
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 79060271
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine (CID 79060283) is 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is CCC(C)(C(N)c1cc(Cl)ccc1OC)N1CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
The InChIKey is DFAZPXVHIWMZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2O/c1-4-17(2,20-10-6-5-7-11-20)16(19)14-12-13(18)8-9-15(14)21-3/h8-9,12,16H,4-7,10-11,19H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine?
1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine has a molecular weight of 310.87 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 79060283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).