(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine

C12H25N — CID 134195529

IUPAC(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
SMILESCCCN1CC[C@@H](C)[C@H](C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-7-13-8-6-11(4)12(9-13)10(2)3/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyWJRZELXXGVQNQH-NEPJUHHUSA-N
MW183.34 g/mol
LogP3.01
Rot. Bonds3

About (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine

(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine (PubChem CID 134195529) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine.

Molecular Properties

Compound Name(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
PubChem CID134195529
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine
SMILESCCCN1CC[C@@H](C)[C@H](C(C)C)C1
InChIInChI=1S/C12H25N/c1-5-7-13-8-6-11(4)12(9-13)10(2)3/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1
InChIKeyWJRZELXXGVQNQH-NEPJUHHUSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The IUPAC name of (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine (CID 134195529) is (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine.
What is the SMILES notation for (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The canonical SMILES for (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine is CCCN1CC[C@@H](C)[C@H](C(C)C)C1.
What is the InChIKey of (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
The InChIKey is WJRZELXXGVQNQH-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H25N/c1-5-7-13-8-6-11(4)12(9-13)10(2)3/h10-12H,5-9H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine?
(3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine has a molecular weight of 183.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methyl-3-propan-2-yl-1-propylpiperidine is sourced from PubChem (CID 134195529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).