(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine

C12H25N — CID 67498965

IUPAC(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
SMILESCC(C)CCC[C@H]1CCC[C@H](C)N1
InChIInChI=1S/C12H25N/c1-10(2)6-4-8-12-9-5-7-11(3)13-12/h10-13H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyHTSJSDFGEZTVQJ-RYUDHWBXSA-N
MW183.34 g/mol
LogP3.34
Rot. Bonds4

About (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine

(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine (PubChem CID 67498965) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
PubChem CID67498965
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
SMILESCC(C)CCC[C@H]1CCC[C@H](C)N1
InChIInChI=1S/C12H25N/c1-10(2)6-4-8-12-9-5-7-11(3)13-12/h10-13H,4-9H2,1-3H3/t11-,12-/m0/s1
InChIKeyHTSJSDFGEZTVQJ-RYUDHWBXSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine?
The IUPAC name of (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine (CID 67498965) is (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine.
What is the SMILES notation for (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine?
The canonical SMILES for (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine is CC(C)CCC[C@H]1CCC[C@H](C)N1.
What is the InChIKey of (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine?
The InChIKey is HTSJSDFGEZTVQJ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)6-4-8-12-9-5-7-11(3)13-12/h10-13H,4-9H2,1-3H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine?
(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-methyl-6-(4-methylpentyl)piperidine is sourced from PubChem (CID 67498965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).