4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol

C18H29NO — CID 116542318

IUPAC4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3
InChIKeyQARPXGHBTBGQQS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds5

About 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol

4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol (PubChem CID 116542318) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
PubChem CID116542318
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3
InChIKeyQARPXGHBTBGQQS-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methylpropyl)phenyl]-1-propan-2-ylazepan-4-ol
CID 116542614
4-methoxy-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542858
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-ol
CID 116542681
3-[3-(2-methylpropyl)phenyl]piperidin-3-ol
CID 116542352
3-methoxy-1-[3-(2-methylpropyl)phenyl]cyclobutan-1-ol
CID 106823598
1-ethyl-4-(3-methylphenyl)piperidin-4-ol
CID 60894273
4-(3,4-difluorophenyl)-1-propylazepan-4-ol
CID 65077615
tert-butyl 3-hydroxy-3-[3-(2-methylpropyl)phenyl]azetidine-1-carboxylate
CID 104890831
2-methyl-1-[3-(2-methylpropyl)phenyl]cyclopentan-1-ol
CID 116542606
1-bromo-3-methylsulfanylbenzene;4-(3-methylsulfanylphenyl)-1-propylpiperidin-4-ol;1-propylpiperidin-4-one;hydrochloride
CID 158327338
4-(5-methyl-3-pyridinyl)-1-propylpiperidin-4-ol
CID 113296961
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The IUPAC name of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol (CID 116542318) is 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1.
What is the InChIKey of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The InChIKey is QARPXGHBTBGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3.
What are the key properties of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol has a molecular weight of 275.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 116542318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).