(3S,5R)-3-ethyl-5-pentylpiperidine

C12H25N — CID 10285844

IUPAC(3S,5R)-3-ethyl-5-pentylpiperidine
SMILESCCCCC[C@H]1CNC[C@@H](CC)C1
InChIInChI=1S/C12H25N/c1-3-5-6-7-12-8-11(4-2)9-13-10-12/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyFLFOWLUWXRZCQF-NWDGAFQWSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

About (3S,5R)-3-ethyl-5-pentylpiperidine

(3S,5R)-3-ethyl-5-pentylpiperidine (PubChem CID 10285844) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3S,5R)-3-ethyl-5-pentylpiperidine.

Molecular Properties

Compound Name(3S,5R)-3-ethyl-5-pentylpiperidine
PubChem CID10285844
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3S,5R)-3-ethyl-5-pentylpiperidine
SMILESCCCCC[C@H]1CNC[C@@H](CC)C1
InChIInChI=1S/C12H25N/c1-3-5-6-7-12-8-11(4-2)9-13-10-12/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyFLFOWLUWXRZCQF-NWDGAFQWSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2-methylpiperidine
CID 7727
1,3-Bis(4-piperidinyl)propane
CID 85631
4-Propylpiperidine
CID 31169
3-Ethylpiperidine
CID 202966
(2-Cyclohexylethyl)(methyl)amine
CID 43930
4-(Cyclohexylmethyl)piperidine
CID 98883
3-Azaspiro(5.5)undecane hydrochloride
CID 417412
3-Cyclohexylpiperidine
CID 3809353
Piperidine, 4-(1-methylethyl)-
CID 140569
3-(Propan-2-yl)piperidine
CID 541786
2,4,6-Trimethylpiperidine
CID 89562
(5-Cyclohexyl-pentyl)-methyl-amine
CID 18790250

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-ethyl-5-pentylpiperidine?
The IUPAC name of (3S,5R)-3-ethyl-5-pentylpiperidine (CID 10285844) is (3S,5R)-3-ethyl-5-pentylpiperidine.
What is the SMILES notation for (3S,5R)-3-ethyl-5-pentylpiperidine?
The canonical SMILES for (3S,5R)-3-ethyl-5-pentylpiperidine is CCCCC[C@H]1CNC[C@@H](CC)C1.
What is the InChIKey of (3S,5R)-3-ethyl-5-pentylpiperidine?
The InChIKey is FLFOWLUWXRZCQF-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25N/c1-3-5-6-7-12-8-11(4-2)9-13-10-12/h11-13H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (3S,5R)-3-ethyl-5-pentylpiperidine?
(3S,5R)-3-ethyl-5-pentylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-ethyl-5-pentylpiperidine is sourced from PubChem (CID 10285844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).