[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol

C12H16ClNO — CID 124675472

IUPAC[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-14-6-10(8-15)12(7-14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m1/s1
InChIKeyYERUOLXDZSNEDO-ZYHUDNBSSA-N
MW225.72 g/mol
LogP1.98
Rot. Bonds2

About [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol

[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol (PubChem CID 124675472) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
PubChem CID124675472
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol
SMILESCN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-14-6-10(8-15)12(7-14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m1/s1
InChIKeyYERUOLXDZSNEDO-ZYHUDNBSSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol (CID 124675472) is [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol is CN1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1.
What is the InChIKey of [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol?
The InChIKey is YERUOLXDZSNEDO-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-14-6-10(8-15)12(7-14)9-2-4-11(13)5-3-9/h2-5,10,12,15H,6-8H2,1H3/t10-,12-/m1/s1.
What are the key properties of [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol?
[(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol has a molecular weight of 225.72 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 124675472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).