(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol

C10H21NO — CID 153498477

IUPAC(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1C[C@@H](O)CC(C)(C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-9(12)5-10(3,4)7-11/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyORLUGLMNWVJMQG-VIFPVBQESA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol

(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol (PubChem CID 153498477) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
PubChem CID153498477
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1C[C@@H](O)CC(C)(C)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-9(12)5-10(3,4)7-11/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1
InChIKeyORLUGLMNWVJMQG-VIFPVBQESA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 117025067
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
(3R,5R)-5-(methylamino)-1-propan-2-ylpiperidin-3-ol
CID 129237445
(5R)-3-fluoro-3-methyl-1,5-di(propan-2-yl)piperidine
CID 157420520
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
3-methyl-1-propan-2-ylazetidin-3-ol
CID 58334516
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
(5R)-1-methyl-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
CID 176594070

Frequently Asked Questions

What is the IUPAC name of (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol (CID 153498477) is (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol is CC(C)N1C[C@@H](O)CC(C)(C)C1.
What is the InChIKey of (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol?
The InChIKey is ORLUGLMNWVJMQG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-6-9(12)5-10(3,4)7-11/h8-9,12H,5-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol?
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 153498477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).