3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol

C16H25NO — CID 82073558

IUPAC3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-10-13(2)16(14(3)11-12)15(18)6-9-17-7-4-5-8-17/h10-11,15,18H,4-9H2,1-3H3
InChIKeyWBRKVVWZBWDOID-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.13
Rot. Bonds4

About 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol

3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol (PubChem CID 82073558) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
PubChem CID82073558
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol
SMILESCc1cc(C)c(C(O)CCN2CCCC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-12-10-13(2)16(14(3)11-12)15(18)6-9-17-7-4-5-8-17/h10-11,15,18H,4-9H2,1-3H3
InChIKeyWBRKVVWZBWDOID-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpiperidin-1-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82073567
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
2-piperazin-1-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 4274670
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
1-(2,4-dimethylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 82074620
1-(4-methoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82216996
3-piperazin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 116939906
1-(3,5-dimethylphenyl)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103502832
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
N-methyl-2-piperidin-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 15203039

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol (CID 82073558) is 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol is Cc1cc(C)c(C(O)CCN2CCCC2)c(C)c1.
What is the InChIKey of 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
The InChIKey is WBRKVVWZBWDOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-10-13(2)16(14(3)11-12)15(18)6-9-17-7-4-5-8-17/h10-11,15,18H,4-9H2,1-3H3.
What are the key properties of 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol?
3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-1-(2,4,6-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 82073558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).