3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol

C14H29NO — CID 103501727

IUPAC3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
SMILESCCC(C)C(O)CN1CCC(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12(4)14(16)10-15-8-6-13(7-9-15)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyQUQOGGMXLVGILP-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.76
Rot. Bonds5

About 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol

3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol (PubChem CID 103501727) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
PubChem CID103501727
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
SMILESCCC(C)C(O)CN1CCC(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12(4)14(16)10-15-8-6-13(7-9-15)11(2)3/h11-14,16H,5-10H2,1-4H3
InChIKeyQUQOGGMXLVGILP-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(4-propan-2-ylpiperidin-1-yl)propan-2-ol
CID 103494900
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
2-chloro-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 103495595
1-(2-hydroxy-3-methylpentyl)azetidine-2-carboxylic acid
CID 69349562
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 106115086
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-ethoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 115688731
1-(iodomethyl)-4-propan-2-ylpiperidine
CID 149079788
1-cyclobutyl-3-methylpentan-2-ol
CID 65459256
(1R)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethanol
CID 129386330
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol?
The IUPAC name of 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol (CID 103501727) is 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol is CCC(C)C(O)CN1CCC(C(C)C)CC1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol?
The InChIKey is QUQOGGMXLVGILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(4)14(16)10-15-8-6-13(7-9-15)11(2)3/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol?
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol has a molecular weight of 227.39 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol is sourced from PubChem (CID 103501727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).