(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine

C13H17F3N2 — CID 97168581

IUPAC(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
SMILESFC(F)(F)N1CCC[C@H](NCc2ccccc2)C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)18-8-4-7-12(10-18)17-9-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1
InChIKeyMGNXYQADIJQNFU-LBPRGKRZSA-N
MW258.29 g/mol
LogP2.76
Rot. Bonds3

About (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine

(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine (PubChem CID 97168581) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
PubChem CID97168581
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine
SMILESFC(F)(F)N1CCC[C@H](NCc2ccccc2)C1
InChIInChI=1S/C13H17F3N2/c14-13(15,16)18-8-4-7-12(10-18)17-9-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1
InChIKeyMGNXYQADIJQNFU-LBPRGKRZSA-N
XLogP2.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-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)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
N-benzyl-1-(cyclopentylmethyl)piperidin-3-amine
CID 83993970
N-benzyl-1-(2-chloroethyl)piperidin-3-amine
CID 131162483
benzene;N-benzylcyclohexanamine
CID 142622843
N-benzyl-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-amine
CID 45250257
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
N-benzyl-1-methylpiperidin-4-amine
CID 1114650

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine?
The IUPAC name of (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine (CID 97168581) is (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine?
The canonical SMILES for (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine is FC(F)(F)N1CCC[C@H](NCc2ccccc2)C1.
What is the InChIKey of (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine?
The InChIKey is MGNXYQADIJQNFU-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17F3N2/c14-13(15,16)18-8-4-7-12(10-18)17-9-11-5-2-1-3-6-11/h1-3,5-6,12,17H,4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine?
(3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine has a molecular weight of 258.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 97168581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).