5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol

C16H25NO — CID 110923856

IUPAC5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
SMILESCc1cccc(C2CCCN2CCCCCO)c1
InChIInChI=1S/C16H25NO/c1-14-7-5-8-15(13-14)16-9-6-11-17(16)10-3-2-4-12-18/h5,7-8,13,16,18H,2-4,6,9-12H2,1H3
InChIKeyIWFJRYXFASBFIK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.29
Rot. Bonds6

About 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol

5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol (PubChem CID 110923856) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
PubChem CID110923856
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
SMILESCc1cccc(C2CCCN2CCCCCO)c1
InChIInChI=1S/C16H25NO/c1-14-7-5-8-15(13-14)16-9-6-11-17(16)10-3-2-4-12-18/h5,7-8,13,16,18H,2-4,6,9-12H2,1H3
InChIKeyIWFJRYXFASBFIK-UHFFFAOYSA-N
XLogP3.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2S)-2-(3-methylphenyl)pyrrolidin-1-yl]propyl]acetamide
CID 97201640
N-ethyl-N-methyl-3-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]propanamide
CID 97028192
(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
CID 102036806
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
1-[(4-chlorophenyl)methyl]-2-(3-methylphenyl)pyrrolidine
CID 20895828
6-[2-(4-methylphenyl)pyrrolidin-1-yl]hexan-1-amine
CID 166174169
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
5-(4-methyl-2-phenylpiperazin-1-yl)pentan-1-ol
CID 62227844
3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
CID 111436491

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol?
The IUPAC name of 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol (CID 110923856) is 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol?
The canonical SMILES for 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol is Cc1cccc(C2CCCN2CCCCCO)c1.
What is the InChIKey of 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol?
The InChIKey is IWFJRYXFASBFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-7-5-8-15(13-14)16-9-6-11-17(16)10-3-2-4-12-18/h5,7-8,13,16,18H,2-4,6,9-12H2,1H3.
What are the key properties of 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol?
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol is sourced from PubChem (CID 110923856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).