[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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Related Compounds

Pyrrolidine, 1-(p-chloro-alpha-isopropylbenzyl)-, hydrochloride
CID 3057464
Pyrrolidine, 1-(1-(p-chlorophenyl)-3-methylbutyl)-, hydrochloride
CID 3057474
1-Piperidineethanol, beta-(p-chlorophenyl)-
CID 202143
3-(4-Chlorophenyl)-2-(piperidin-1-yl)butan-1-ol--hydrogen chloride (1/1)
CID 3048983
3,4-Piperidinediol, 6-(4-chlorophenyl)-1,3-dimethyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051060
((3R*,4R*)-1-(3-chlorobenzyl)-4-{[ethyl(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 70745028
[1-(2,4-Dichloro-benzyl)-pyrrolidin-2-yl]-methanol
CID 3161761
rac-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol hydrochloride
CID 46736993
2-Pyrrolidinemethanol, 1-[(4-chlorophenyl)methyl]-
CID 3662908
(1-(4-Chlorobenzyl)piperidin-2-yl)methanol
CID 23992088
[8-(4-Chlorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921737
(3S,4S)-1-[(4-chlorophenyl)methyl]-4-(dimethylamino)pyrrolidin-3-ol
CID 74244661

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).