(3R)-3-(2-methylhexyl)piperidine

C12H25N — CID 155456169

IUPAC(3R)-3-(2-methylhexyl)piperidine
SMILESCCCCC(C)C[C@H]1CCCNC1
InChIInChI=1S/C12H25N/c1-3-4-6-11(2)9-12-7-5-8-13-10-12/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyITFPCRSQUYUZFR-PIJUOVFKSA-N
MW183.34 g/mol
LogP3.20
Rot. Bonds5

About (3R)-3-(2-methylhexyl)piperidine

(3R)-3-(2-methylhexyl)piperidine (PubChem CID 155456169) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (3R)-3-(2-methylhexyl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2-methylhexyl)piperidine
PubChem CID155456169
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(3R)-3-(2-methylhexyl)piperidine
SMILESCCCCC(C)C[C@H]1CCCNC1
InChIInChI=1S/C12H25N/c1-3-4-6-11(2)9-12-7-5-8-13-10-12/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1
InChIKeyITFPCRSQUYUZFR-PIJUOVFKSA-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

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Related Compounds

(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
3-(2-ethylhexyl)azepane
CID 104680647
3-(2-fluoropentyl)piperidine
CID 105435660
3-(2-methylpentoxymethyl)piperidine
CID 62339734
(3S)-3-heptylpiperidine
CID 155456188
3-[2-(2-ethylphenyl)hexyl]piperidine
CID 173195179
3-(2-cyclobutylpropyl)piperidine
CID 130987572
N-ethyl-N-(piperidin-3-ylmethyl)nonan-2-amine
CID 106624638
3-(2-methylpropyl)azecane
CID 91499893
3-(2-methylpropyl)-azacyclododecane
CID 18705357
3-(3-methylbutyl)piperidine
CID 53409753
N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylhexyl)piperidine?
The IUPAC name of (3R)-3-(2-methylhexyl)piperidine (CID 155456169) is (3R)-3-(2-methylhexyl)piperidine.
What is the SMILES notation for (3R)-3-(2-methylhexyl)piperidine?
The canonical SMILES for (3R)-3-(2-methylhexyl)piperidine is CCCCC(C)C[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-(2-methylhexyl)piperidine?
The InChIKey is ITFPCRSQUYUZFR-PIJUOVFKSA-N. The full InChI is InChI=1S/C12H25N/c1-3-4-6-11(2)9-12-7-5-8-13-10-12/h11-13H,3-10H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of (3R)-3-(2-methylhexyl)piperidine?
(3R)-3-(2-methylhexyl)piperidine 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 (3R)-3-(2-methylhexyl)piperidine is sourced from PubChem (CID 155456169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).