(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine

C17H25N — CID 134203274

IUPAC(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine
SMILESCC[C@@H]1CN(C2CCC2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H25N/c1-2-14-13-18(16-9-6-10-16)12-11-17(14)15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3/t14-,17+/m1/s1
InChIKeyBGZQPNXBIVATQT-PBHICJAKSA-N
MW243.39 g/mol
LogP4.05
Rot. Bonds3

About (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine

(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine (PubChem CID 134203274) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine.

Molecular Properties

Compound Name(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine
PubChem CID134203274
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine
SMILESCC[C@@H]1CN(C2CCC2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C17H25N/c1-2-14-13-18(16-9-6-10-16)12-11-17(14)15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3/t14-,17+/m1/s1
InChIKeyBGZQPNXBIVATQT-PBHICJAKSA-N
XLogP4.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]acetic acid
CID 129434571
(2S)-2-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]propanoic acid
CID 124683616
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
3-ethyl-1-(2-methylsulfonylethyl)-4-phenylpiperidine
CID 71983624
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
2-[2-(3-ethyl-4-phenylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 71866626
(2S)-2-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119817662
1-[(3S,4S)-3-ethyl-4-phenylpiperidin-1-yl]-2-propylsulfonylethanone
CID 95935278
N-benzyl-1-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanamine
CID 45360416
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
1-[4-(3-ethyl-4-phenylpiperidine-1-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 166411061

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine?
The IUPAC name of (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine (CID 134203274) is (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine.
What is the SMILES notation for (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine?
The canonical SMILES for (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine is CC[C@@H]1CN(C2CCC2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine?
The InChIKey is BGZQPNXBIVATQT-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N/c1-2-14-13-18(16-9-6-10-16)12-11-17(14)15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,2,6,9-13H2,1H3/t14-,17+/m1/s1.
What are the key properties of (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine?
(3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine has a molecular weight of 243.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclobutyl-3-ethyl-4-phenylpiperidine is sourced from PubChem (CID 134203274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).