1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol

C17H27NO — CID 82485339

IUPAC1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
SMILESCc1cc(C)c(CCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)5-4-8-18-9-6-16(19)7-10-18/h11-12,16,19H,4-10H2,1-3H3
InChIKeyBVUBDACVHXSDLC-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds4

About 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol

1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol (PubChem CID 82485339) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
PubChem CID82485339
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
SMILESCc1cc(C)c(CCCN2CCC(O)CC2)c(C)c1
InChIInChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)5-4-8-18-9-6-16(19)7-10-18/h11-12,16,19H,4-10H2,1-3H3
InChIKeyBVUBDACVHXSDLC-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-hydroxypiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 98019521
1-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-ol
CID 82486099
1-methyl-4-[3-[2,3,5-trimethyl-6-[2-(2,4,6-trimethylphenyl)ethyl]phenyl]propyl]piperazine
CID 170862633
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751
3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
CID 142307822
1-octylpiperidin-4-ol
CID 62022103
N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(2,4,6-trimethylphenyl)pentan-1-amine
CID 70621295
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol (CID 82485339) is 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol is Cc1cc(C)c(CCCN2CCC(O)CC2)c(C)c1.
What is the InChIKey of 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol?
The InChIKey is BVUBDACVHXSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-11-14(2)17(15(3)12-13)5-4-8-18-9-6-16(19)7-10-18/h11-12,16,19H,4-10H2,1-3H3.
What are the key properties of 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol?
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol has a molecular weight of 261.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol is sourced from PubChem (CID 82485339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).