1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol

C18H29NO — CID 62205059

IUPAC1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
SMILESCCCC1CCN(C(C)C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29NO/c1-4-5-16-10-12-19(13-11-16)15(3)18(20)17-8-6-14(2)7-9-17/h6-9,15-16,18,20H,4-5,10-13H2,1-3H3
InChIKeyMBUCZPBZHKNOBI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.93
Rot. Bonds5

About 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol

1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol (PubChem CID 62205059) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
PubChem CID62205059
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
SMILESCCCC1CCN(C(C)C(O)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H29NO/c1-4-5-16-10-12-19(13-11-16)15(3)18(20)17-8-6-14(2)7-9-17/h6-9,15-16,18,20H,4-5,10-13H2,1-3H3
InChIKeyMBUCZPBZHKNOBI-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
1-(4-chlorophenyl)-2-[4-(cyclohexylmethyl)piperidin-1-yl]propan-1-ol;hydrochloride
CID 140989276
4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
N-propyl-3-(4-propylpiperidin-1-yl)butan-2-amine
CID 62201089
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride
CID 11529303
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
2-(2,5-dimethylphenyl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 62199615
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
CID 64599486
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 81474761

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol (CID 62205059) is 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol is CCCC1CCN(C(C)C(O)c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol?
The InChIKey is MBUCZPBZHKNOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-16-10-12-19(13-11-16)15(3)18(20)17-8-6-14(2)7-9-17/h6-9,15-16,18,20H,4-5,10-13H2,1-3H3.
What are the key properties of 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol?
1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 62205059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).