1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride

C16H26ClNO — CID 11529303

IUPAC1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride
SMILESCCCC(C(O)c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15-16,18H,3-6,11-12H2,1-2H3;1H
InChIKeyIZOMHENJVANBAL-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.71
Rot. Bonds5

About 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride

1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride (PubChem CID 11529303) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride
PubChem CID11529303
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride
SMILESCCCC(C(O)c1ccc(C)cc1)N1CCCC1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15-16,18H,3-6,11-12H2,1-2H3;1H
InChIKeyIZOMHENJVANBAL-UHFFFAOYSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride 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

1-phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride
CID 54602375
1-(4-methylphenyl)-2-(4-propylpiperidin-1-yl)propan-1-ol
CID 62205059
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
(3R)-3-[(S)-hydroxy-(4-methylphenyl)methyl]hexan-2-one
CID 101235346
2-ethoxy-1-(4-methylphenyl)pentan-1-ol
CID 116711377
3-(4-methylphenyl)-3-piperidin-1-ylpropan-1-amine
CID 82023207
1-(4-methylphenyl)-1-piperidin-1-ylbutan-2-amine
CID 55016527
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(1R,2S)-1-(4-methylphenyl)nonane-1,2-diol
CID 15778520
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-methylphenyl)propan-1-ol
CID 115561355
N-butyl-1-[[3-[butyl(methyl)carbamoyl]piperidin-1-yl]-(4-methylphenyl)methyl]-N-methylpiperidine-3-carboxamide;dihydrobromide
CID 67873605
ethyl 1-[cyano-(4-methylphenyl)methyl]piperidine-3-carboxylate
CID 84756609

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride (CID 11529303) is 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride is CCCC(C(O)c1ccc(C)cc1)N1CCCC1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride?
The InChIKey is IZOMHENJVANBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-3-6-15(17-11-4-5-12-17)16(18)14-9-7-13(2)8-10-14;/h7-10,15-16,18H,3-6,11-12H2,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride?
1-(4-methylphenyl)-2-pyrrolidin-1-ylpentan-1-ol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.71, 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-pyrrolidin-1-ylpentan-1-ol;hydrochloride is sourced from PubChem (CID 11529303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).