(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol

C11H23NO — CID 58286822

IUPAC(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol
SMILESCC(C)(C)CCC1CCNC[C@@H]1O
InChIInChI=1S/C11H23NO/c1-11(2,3)6-4-9-5-7-12-8-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyYMLKPBPECNHYKG-AXDSSHIGSA-N
MW185.31 g/mol
LogP1.78
Rot. Bonds2

About (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol

(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol (PubChem CID 58286822) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol
PubChem CID58286822
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol
SMILESCC(C)(C)CCC1CCNC[C@@H]1O
InChIInChI=1S/C11H23NO/c1-11(2,3)6-4-9-5-7-12-8-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyYMLKPBPECNHYKG-AXDSSHIGSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5,5-Dimethylpiperidin-2-yl)methanol
CID 131631928
6-Azaspiro(3.5)nonan-8-ol
CID 131407352
(2s,4r)-6-Azaspiro[3.5]nonan-2-ol hydrochloride
CID 154733337
3-Methyl-1-(piperidin-4-yl)butan-1-ol
CID 44827669
4-Tert-butylpiperidin-3-ol hydrochloride
CID 71758200
rac-(3R,4R)-4-tert-butylpiperidin-3-ol hydrochloride
CID 137935526
rac-[(2R,4S)-4-tert-butylpiperidin-2-yl]methanol
CID 145867668
4-Hydroxy-3,5-di-t-butylpiperidine
CID 129806388
4-Tert-butylpiperidin-3-ol
CID 58530532
(3S,5R)-5-[(1S)-1-fluoropropyl]piperidin-3-ol
CID 68374505
5-(1-Fluoropropyl)-4-methylpiperidin-3-ol
CID 123577643
6-Ethyl-5-(fluoromethyl)piperidin-3-ol
CID 126716122

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol?
The IUPAC name of (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol (CID 58286822) is (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol.
What is the SMILES notation for (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol?
The canonical SMILES for (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol is CC(C)(C)CCC1CCNC[C@@H]1O.
What is the InChIKey of (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol?
The InChIKey is YMLKPBPECNHYKG-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,3)6-4-9-5-7-12-8-10(9)13/h9-10,12-13H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol?
(3R)-4-(3,3-dimethylbutyl)piperidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3,3-dimethylbutyl)piperidin-3-ol is sourced from PubChem (CID 58286822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).