[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15Cl2NO — CID 129367742

IUPAC[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2/t10-/m0/s1
InChIKeyMWYWEQWLWANNDL-JTQLQIEISA-N
MW260.16 g/mol
LogP2.81
Rot. Bonds3

About [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol

[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 129367742) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID129367742
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C12H15Cl2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2/t10-/m0/s1
InChIKeyMWYWEQWLWANNDL-JTQLQIEISA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]ethanol
CID 10637061
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491207
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927603
[(3S)-1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 97158378
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
[(3R)-1-[(2-bromo-4-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 97169730
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371901
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
[1-[(6-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 71650079

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 129367742) is [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is MWYWEQWLWANNDL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-11-2-1-9(5-12(11)14)6-15-4-3-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2/t10-/m0/s1.
What are the key properties of [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129367742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).