(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine

C12H25N — CID 102595454

IUPAC(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine
SMILESCC[C@@H](C)C[C@@H]1CCCN(CC)C1
InChIInChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyDYZADDXQHPDPNW-NEPJUHHUSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds4

About (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine

(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine (PubChem CID 102595454) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine.

Molecular Properties

Compound Name(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine
PubChem CID102595454
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine
SMILESCC[C@@H](C)C[C@@H]1CCCN(CC)C1
InChIInChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m1/s1
InChIKeyDYZADDXQHPDPNW-NEPJUHHUSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine?
The IUPAC name of (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine (CID 102595454) is (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine.
What is the SMILES notation for (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine?
The canonical SMILES for (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine is CC[C@@H](C)C[C@@H]1CCCN(CC)C1.
What is the InChIKey of (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine?
The InChIKey is DYZADDXQHPDPNW-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25N/c1-4-11(3)9-12-7-6-8-13(5-2)10-12/h11-12H,4-10H2,1-3H3/t11-,12+/m1/s1.
What are the key properties of (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine?
(3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-[(2R)-2-methylbutyl]piperidine is sourced from PubChem (CID 102595454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).