[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride

C12H17Cl2NO — CID 23345232

IUPAC[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride
SMILESCN1CCC(CO)C1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9;/h2-5,10,12,15H,6-8H2,1H3;1H
InChIKeyHGJGTTZISMUJIK-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.75
Rot. Bonds2

About [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride

[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 23345232) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride
PubChem CID23345232
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride
SMILESCN1CCC(CO)C1c1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO.ClH/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9;/h2-5,10,12,15H,6-8H2,1H3;1H
InChIKeyHGJGTTZISMUJIK-UHFFFAOYSA-N
XLogP2.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride (CID 23345232) is [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride is CN1CCC(CO)C1c1ccc(Cl)cc1.Cl.
What is the InChIKey of [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is HGJGTTZISMUJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c1-14-7-6-10(8-15)12(14)9-2-4-11(13)5-3-9;/h2-5,10,12,15H,6-8H2,1H3;1H.
What are the key properties of [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride?
[2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 23345232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).