4,4-dimethyl-1-propan-2-ylpiperidin-3-ol

C10H21NO — CID 117025067

IUPAC4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(C)(C)C(O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-10(3,4)9(12)7-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNGUZOKLSXPYCMN-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds1

About 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol

4,4-dimethyl-1-propan-2-ylpiperidin-3-ol (PubChem CID 117025067) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
PubChem CID117025067
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4,4-dimethyl-1-propan-2-ylpiperidin-3-ol
SMILESCC(C)N1CCC(C)(C)C(O)C1
InChIInChI=1S/C10H21NO/c1-8(2)11-6-5-10(3,4)9(12)7-11/h8-9,12H,5-7H2,1-4H3
InChIKeyNGUZOKLSXPYCMN-UHFFFAOYSA-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

(3S)-1-propan-2-ylpyrrolidin-3-ol
CID 45087375
1-(4,4-dimethyl-1-propan-2-ylpiperidin-3-yl)-N-methylmethanamine
CID 117025884
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
3-hydroxy-4,4-dimethyl-N-propan-2-ylpiperidine-1-carboxamide
CID 115269861
3,5,5-trimethyl-1-propan-2-ylazepane
CID 58110206
bis(3-methyl-1-propan-2-ylazetidin-3-ol);bis((3S)-3-methyl-1-propan-2-ylpyrrolidin-3-ol);1-propan-2-ylpyrrolidine;bis((3S)-1-propan-2-ylpyrrolidin-3-ol)
CID 167683219
1-(3-aminobutan-2-yl)-4,4-dimethylpyrrolidin-3-ol
CID 131091885
7,7-dimethyl-3,6-di(propan-2-yl)-3-azabicyclo[4.1.0]heptane
CID 170274306
7,7-dichloro-6-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 127000189
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
(3S)-5,5-dimethyl-1-propan-2-ylpiperidin-3-ol
CID 153498477
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol?
The IUPAC name of 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol (CID 117025067) is 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol?
The canonical SMILES for 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol is CC(C)N1CCC(C)(C)C(O)C1.
What is the InChIKey of 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol?
The InChIKey is NGUZOKLSXPYCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)11-6-5-10(3,4)9(12)7-11/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol?
4,4-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 4,4-dimethyl-1-propan-2-ylpiperidin-3-ol is sourced from PubChem (CID 117025067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).