6-(3-phenylpyrrolidin-1-yl)hexan-2-ol

C16H25NO — CID 62133412

IUPAC6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
SMILESCC(O)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-14(18)7-5-6-11-17-12-10-16(13-17)15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3
InChIKeyZCAWWMWGOYMXOQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.03
Rot. Bonds6

About 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol

6-(3-phenylpyrrolidin-1-yl)hexan-2-ol (PubChem CID 62133412) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol.

Molecular Properties

Compound Name6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
PubChem CID62133412
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
SMILESCC(O)CCCCN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H25NO/c1-14(18)7-5-6-11-17-12-10-16(13-17)15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3
InChIKeyZCAWWMWGOYMXOQ-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
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

6-(3-phenylpyrrolidin-1-yl)-N-propylhexan-2-amine
CID 62131389
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
2-methyl-N-[3-(3-phenylpyrrolidin-1-yl)propyl]propan-2-amine
CID 55069158
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
2,2-dimethyl-5-(3-phenylpyrrolidin-1-yl)pentan-1-amine
CID 65254158
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol?
The IUPAC name of 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol (CID 62133412) is 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol.
What is the SMILES notation for 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol?
The canonical SMILES for 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol is CC(O)CCCCN1CCC(c2ccccc2)C1.
What is the InChIKey of 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol?
The InChIKey is ZCAWWMWGOYMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-14(18)7-5-6-11-17-12-10-16(13-17)15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3.
What are the key properties of 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol?
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpyrrolidin-1-yl)hexan-2-ol is sourced from PubChem (CID 62133412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).