(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine

C15H31N — CID 155468867

IUPAC(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C
InChIInChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1
InChIKeyRVFLTFBGPZPVOH-ZIAGYGMSSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds4

About (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine

(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine (PubChem CID 155468867) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
PubChem CID155468867
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C
InChIInChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1
InChIKeyRVFLTFBGPZPVOH-ZIAGYGMSSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-(3-methylbutyl)aziridine
CID 130453016
1,2-dimethyl-4-propan-2-ylpyrrolidine
CID 142849409
(2S,4R,6R)-1,6-dimethyl-4-propan-2-ylpiperidin-2-ol
CID 125450004
8-(3-methylbutyl)-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 168740580
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
6-(3-methylbutyl)-3-thia-6-azabicyclo[3.1.1]heptane
CID 172588599
1-(3-fluorobutyl)-2,5-dimethylpyrrolidine
CID 130702975
6-(2-methylpropyl)-3-propan-2-yl-6-azabicyclo[3.1.1]heptane
CID 174322129
N-[2-(2,4-dimethylazetidin-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 164839056
2-[6-(3-methylbutyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanol
CID 156729433
(3R,5S)-1,3-dimethyl-5-propan-2-ylpiperidine
CID 134236190
(3S,5R)-1-methyl-3-(2-methylpropyl)-5-propan-2-ylpiperidine
CID 134236222

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The IUPAC name of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine (CID 155468867) is (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine is CC(C)CCN1[C@H](C)CC(C(C)C)C[C@H]1C.
What is the InChIKey of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
The InChIKey is RVFLTFBGPZPVOH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H31N/c1-11(2)7-8-16-13(5)9-15(12(3)4)10-14(16)6/h11-15H,7-10H2,1-6H3/t13-,14-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine?
(2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-1-(3-methylbutyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 155468867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).