[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol

C15H23NO — CID 167312449

IUPAC[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESCC[C@@](C)(c1ccccc1)N1CC[C@H](CO)C1
InChIInChI=1S/C15H23NO/c1-3-15(2,14-7-5-4-6-8-14)16-10-9-13(11-16)12-17/h4-8,13,17H,3,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyVNNYJXYGQFMPCS-ZFWWWQNUSA-N
MW233.36 g/mol
LogP2.63
Rot. Bonds4

About [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol

[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 167312449) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol
PubChem CID167312449
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESCC[C@@](C)(c1ccccc1)N1CC[C@H](CO)C1
InChIInChI=1S/C15H23NO/c1-3-15(2,14-7-5-4-6-8-14)16-10-9-13(11-16)12-17/h4-8,13,17H,3,9-12H2,1-2H3/t13-,15-/m0/s1
InChIKeyVNNYJXYGQFMPCS-ZFWWWQNUSA-N
XLogP2.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 62488931
2-(3-aminopyrrolidin-1-yl)-2-phenylpropanoic acid
CID 115000736
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
CID 105059300
1-(1-tritylpiperidin-4-yl)propan-2-one
CID 20685215
2-(1-methylpiperidin-4-yl)-1,1-diphenylethanol;hydrochloride
CID 54609205
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
3,4-dimethyl-1-tritylpiperidine
CID 118534551
(1-tritylpiperidin-4-yl)methanamine
CID 18668757
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-2-phenylbutanoic acid
CID 168661645

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol (CID 167312449) is [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol is CC[C@@](C)(c1ccccc1)N1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is VNNYJXYGQFMPCS-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(2,14-7-5-4-6-8-14)16-10-9-13(11-16)12-17/h4-8,13,17H,3,9-12H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 233.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2S)-2-phenylbutan-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 167312449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).