3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol

C14H29NO — CID 19097380

IUPAC3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol
SMILESCCCN1CCC(C)C(C)(CCCO)C1C
InChIInChI=1S/C14H29NO/c1-5-9-15-10-7-12(2)14(4,13(15)3)8-6-11-16/h12-13,16H,5-11H2,1-4H3
InChIKeyFQXANZRGVQYFJD-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds5

About 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol

3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol (PubChem CID 19097380) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol
PubChem CID19097380
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol
SMILESCCCN1CCC(C)C(C)(CCCO)C1C
InChIInChI=1S/C14H29NO/c1-5-9-15-10-7-12(2)14(4,13(15)3)8-6-11-16/h12-13,16H,5-11H2,1-4H3
InChIKeyFQXANZRGVQYFJD-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2,3,4-tetramethylpiperidin-3-yl)propanoic acid
CID 19099568
3-(2,3,4-trimethylpiperidin-3-yl)propan-1-ol
CID 19097382
3-(2-methylazetidin-1-yl)propan-1-ol
CID 104549007
N-(8-hydroxyoctyl)-1-propylazetidine-2-carboxamide
CID 154672230
3-[1-(3-hydroxypropyl)-4,4-dimethylcyclohexyl]propan-1-ol
CID 139787359
(2S,3R)-2-methyl-1-propylpyrrolidin-3-ol
CID 130813850
1-(3-hydroxypropyl)-2-methylcyclopropan-1-ol
CID 54261180
1-(3-hydroxypropyl)-2-methylcyclobutan-1-ol
CID 56631028
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252
3-(3,3-difluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 126787142
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)propan-1-ol
CID 130620337
(4R)-2-(hydroxymethyl)-1-propylpiperidine-3,4-diol
CID 143047717

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol?
The IUPAC name of 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol (CID 19097380) is 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol?
The canonical SMILES for 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol is CCCN1CCC(C)C(C)(CCCO)C1C.
What is the InChIKey of 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol?
The InChIKey is FQXANZRGVQYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-15-10-7-12(2)14(4,13(15)3)8-6-11-16/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol?
3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trimethyl-1-propylpiperidin-3-yl)propan-1-ol is sourced from PubChem (CID 19097380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).