(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine

C15H23FN2O2S — CID 124865698

IUPAC(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-11-4-5-13(8-14(11)16)9-17-15-6-7-18(10-12(15)2)21(3,19)20/h4-5,8,12,15,17H,6-7,9-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyBJKHDNAUUGMUQJ-IUODEOHRSA-N
MW314.43 g/mol
LogP1.89
Rot. Bonds4

About (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine

(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine (PubChem CID 124865698) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
PubChem CID124865698
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC Name(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
SMILESCc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F
InChIInChI=1S/C15H23FN2O2S/c1-11-4-5-13(8-14(11)16)9-17-15-6-7-18(10-12(15)2)21(3,19)20/h4-5,8,12,15,17H,6-7,9-10H2,1-3H3/t12-,15-/m1/s1
InChIKeyBJKHDNAUUGMUQJ-IUODEOHRSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-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

(3S,4S)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-propan-2-ylsulfonylpiperidin-4-amine
CID 95780787
(3S,4R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98768217
(3S,4R)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 98772907
(3S,4S)-3-methyl-1-methylsulfonyl-N-(pyridin-3-ylmethyl)piperidin-4-amine
CID 95780727
(3R,4R)-3-methyl-N-[(7-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 124865929
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
1,5-dimethyl-4-[[[(3S,4R)-3-methyl-1-methylsulfonylpiperidin-4-yl]amino]methyl]pyrrole-2-carbonitrile
CID 95780706
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
(3R,4S)-3-methyl-1-methylsulfonyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 95780734
[(3S,4R)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-methylpiperidin-1-yl]-cyclopropylmethanone
CID 96513568
1-[(3R,4R)-4-[(3-fluoro-4-methoxyphenyl)methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97024559
(3S,4R)-N-[(1-ethylimidazol-2-yl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine
CID 95780700

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine (CID 124865698) is (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine is Cc1ccc(CN[C@@H]2CCN(S(C)(=O)=O)C[C@H]2C)cc1F.
What is the InChIKey of (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
The InChIKey is BJKHDNAUUGMUQJ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-4-5-13(8-14(11)16)9-17-15-6-7-18(10-12(15)2)21(3,19)20/h4-5,8,12,15,17H,6-7,9-10H2,1-3H3/t12-,15-/m1/s1.
What are the key properties of (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine?
(3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine has a molecular weight of 314.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-[(3-fluoro-4-methylphenyl)methyl]-3-methyl-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 124865698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).