(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine

C17H28N2 — CID 149434678

IUPAC(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
SMILESCCCC[C@@H]1CNCC[C@H]1NC(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-13-18-12-11-17(16)19-14(2)15-9-6-5-7-10-15/h5-7,9-10,14,16-19H,3-4,8,11-13H2,1-2H3/t14?,16-,17-/m1/s1
InChIKeyYWXOQQIFONUEPJ-VNCLPFQGSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds6

About (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine

(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine (PubChem CID 149434678) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound Name(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
PubChem CID149434678
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine
SMILESCCCC[C@@H]1CNCC[C@H]1NC(C)c1ccccc1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-13-18-12-11-17(16)19-14(2)15-9-6-5-7-10-15/h5-7,9-10,14,16-19H,3-4,8,11-13H2,1-2H3/t14?,16-,17-/m1/s1
InChIKeyYWXOQQIFONUEPJ-VNCLPFQGSA-N
XLogP3.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-3-butyl-N-(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

(3R,4S)-3-ethoxy-N-(1-phenylethyl)piperidin-4-amine
CID 141266125
(3R,4R)-3-fluoro-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 67650944
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
cis-(1S,2R)-2-[[(1R)-1-phenylethyl]amino]cyclobutan-1-ol
CID 10609367
1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
3-butyl-N-(3,4-dimethoxyphenyl)piperidin-4-amine
CID 69344181
(1R,2R,5R,6R)-2-N,6-N-bis(1-phenylethyl)-9-thiabicyclo[3.3.1]nonane-2,6-diamine
CID 10883424
(3R)-3-[(2R)-2-phenylpropyl]pyrrolidine
CID 86324114

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine?
The IUPAC name of (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine (CID 149434678) is (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine.
What is the SMILES notation for (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine?
The canonical SMILES for (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine is CCCC[C@@H]1CNCC[C@H]1NC(C)c1ccccc1.
What is the InChIKey of (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine?
The InChIKey is YWXOQQIFONUEPJ-VNCLPFQGSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-8-16-13-18-12-11-17(16)19-14(2)15-9-6-5-7-10-15/h5-7,9-10,14,16-19H,3-4,8,11-13H2,1-2H3/t14?,16-,17-/m1/s1.
What are the key properties of (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine?
(3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-butyl-N-(1-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 149434678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).