(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine

C15H24N2 — CID 11172331

IUPAC(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](N[C@@H]1CCN(C)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H24N2/c1-12-11-17(3)10-9-15(12)16-13(2)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyRKPXHOVGOBQLSI-VNHYZAJKSA-N
MW232.37 g/mol
LogP2.68
Rot. Bonds3

About (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine

(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine (PubChem CID 11172331) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
PubChem CID11172331
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](N[C@@H]1CCN(C)C[C@H]1C)c1ccccc1
InChIInChI=1S/C15H24N2/c1-12-11-17(3)10-9-15(12)16-13(2)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-/m1/s1
InChIKeyRKPXHOVGOBQLSI-VNHYZAJKSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-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

1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
(3S)-1-methyl-N-(1-phenylethyl)pyrrolidin-3-amine
CID 134939795
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104
N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718237
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine?
The IUPAC name of (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine (CID 11172331) is (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine.
What is the SMILES notation for (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine?
The canonical SMILES for (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine is C[C@H](N[C@@H]1CCN(C)C[C@H]1C)c1ccccc1.
What is the InChIKey of (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine?
The InChIKey is RKPXHOVGOBQLSI-VNHYZAJKSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-11-17(3)10-9-15(12)16-13(2)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t12-,13+,15-/m1/s1.
What are the key properties of (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine?
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine has a molecular weight of 232.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine is sourced from PubChem (CID 11172331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).