2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol

C16H23NO — CID 142021655

IUPAC2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
SMILESOC(CC1CCC1)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H23NO/c18-16(11-13-5-4-6-13)17-10-9-15(12-17)14-7-2-1-3-8-14/h1-3,7-8,13,15-16,18H,4-6,9-12H2/t15-,16?/m1/s1
InChIKeyKRKQBNMVGHCMBK-AAFJCEBUSA-N
MW245.37 g/mol
LogP2.98
Rot. Bonds4

About 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol

2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol (PubChem CID 142021655) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
PubChem CID142021655
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
SMILESOC(CC1CCC1)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C16H23NO/c18-16(11-13-5-4-6-13)17-10-9-15(12-17)14-7-2-1-3-8-14/h1-3,7-8,13,15-16,18H,4-6,9-12H2/t15-,16?/m1/s1
InChIKeyKRKQBNMVGHCMBK-AAFJCEBUSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;1-(1-methylpiperidin-4-yl)-3-phenylpropan-1-ol
CID 142021357
3-cyclobutyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid;4-(3,3-difluoro-3-phenylpropyl)-1-methylpiperidine
CID 142021125
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 64693583
3-(3-phenylpyrrolidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62413169
phenyl-(4-phenylpiperidin-1-yl)methanol
CID 57150184
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-cyclohexyl-1-(3-phenylpyrrolidin-1-yl)ethanethione
CID 158434350

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The IUPAC name of 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol (CID 142021655) is 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol.
What is the SMILES notation for 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The canonical SMILES for 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol is OC(CC1CCC1)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
The InChIKey is KRKQBNMVGHCMBK-AAFJCEBUSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(11-13-5-4-6-13)17-10-9-15(12-17)14-7-2-1-3-8-14/h1-3,7-8,13,15-16,18H,4-6,9-12H2/t15-,16?/m1/s1.
What are the key properties of 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol?
2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol has a molecular weight of 245.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-[(3S)-3-phenylpyrrolidin-1-yl]ethanol is sourced from PubChem (CID 142021655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).