(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol

C15H21NO — CID 97384185

IUPAC(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-8-9-16(11-13-6-7-13)14(15)10-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1
InChIKeyQPATUZKXEXXOKR-LSDHHAIUSA-N
MW231.34 g/mol
LogP2.07
Rot. Bonds4

About (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol

(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol (PubChem CID 97384185) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol
PubChem CID97384185
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1
InChIInChI=1S/C15H21NO/c17-15-8-9-16(11-13-6-7-13)14(15)10-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1
InChIKeyQPATUZKXEXXOKR-LSDHHAIUSA-N
XLogP2.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
RB-042 HCl
CID 72735621
Preussin I
CID 145964355
Alpha-((diethylamino)methyl)phenethyl alcohol
CID 411826
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1S,2R)-
CID 9942483
1-Phenyl-2-(pyrrolidin-1-yl)propan-1-ol, (1R,2S)-
CID 10856631
2-(4-Benzyl-piperidin-1-yl)-cyclohexanol
CID 15925766
2-[4-(3-Phenyl-propyl)-piperidin-1-yl]-cyclohexanol
CID 15925767
(1S,2S)-2-(3-Phenyl-8-aza-bicyclo[3.2.1]oct-8-yl)-cyclohexanol
CID 44350870
trans-(1S,2S)-2-[methyl(2-phenylethyl)amino]cyclohexan-1-ol
CID 71769139
Preussin J
CID 145974228
Preussin E
CID 145975830

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol (CID 97384185) is (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol is O[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol?
The InChIKey is QPATUZKXEXXOKR-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO/c17-15-8-9-16(11-13-6-7-13)14(15)10-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol?
(2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol has a molecular weight of 231.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-1-(cyclopropylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97384185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).