(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine

C12H25N — CID 130645010

IUPAC(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CC[C@H](C)C[C@@H]1C
InChIInChI=1S/C12H25N/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h10-12H,5-9H2,1-4H3/t10?,11-,12-/m0/s1
InChIKeyPSCRKUVFKBRZGY-RAMGSTBQSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds3

About (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine

(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine (PubChem CID 130645010) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
PubChem CID130645010
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CC[C@H](C)C[C@@H]1C
InChIInChI=1S/C12H25N/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h10-12H,5-9H2,1-4H3/t10?,11-,12-/m0/s1
InChIKeyPSCRKUVFKBRZGY-RAMGSTBQSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,1-dimethyl-N-(4-methylcyclohexyl)-4-piperidinamine
CID 2846435
Piperidine, 1,3,5-trimethyl-
CID 100164
1-Cyclohexylmethyl-4-methyl-piperidine
CID 15153359
1-Ethyl-4-methylpiperidine
CID 4178649
1-Butyl-4-methylpiperidine
CID 4104802
1-Hexyl-4-methylpiperidine
CID 4525600
1-Ethyl-3-methylpiperidine
CID 102760
1-Propyl-4-methylpiperidine
CID 4100429
1-Ethyl-3-(2-methylbutyl)piperidine
CID 3016925
1,2,5-Trimethylpiperidine
CID 338922
1-Ethyl-2-methylpiperidine
CID 522625
N-Isopentylpiperidine
CID 523252

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine?
The IUPAC name of (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine (CID 130645010) is (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine.
What is the SMILES notation for (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine?
The canonical SMILES for (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine is CCC(C)CN1CC[C@H](C)C[C@@H]1C.
What is the InChIKey of (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine?
The InChIKey is PSCRKUVFKBRZGY-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H25N/c1-5-10(2)9-13-7-6-11(3)8-12(13)4/h10-12H,5-9H2,1-4H3/t10?,11-,12-/m0/s1.
What are the key properties of (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine?
(2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4-dimethyl-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 130645010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).