[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol

C18H28ClN3O — CID 126668161

IUPAC[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
SMILESCN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO
InChIInChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3
InChIKeyZJKWHOPAAMMKLB-UHFFFAOYSA-N
MW337.89 g/mol
LogP1.61
Rot. Bonds4

About [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol

[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol (PubChem CID 126668161) has the molecular formula C18H28ClN3O and a molecular weight of 337.89 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
PubChem CID126668161
Molecular FormulaC18H28ClN3O
Molecular Weight337.89 g/mol
Exact Mass337.19
IUPAC Name[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol
SMILESCN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO
InChIInChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3
InChIKeyZJKWHOPAAMMKLB-UHFFFAOYSA-N
XLogP1.61
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.89
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylsulfonyl-4-piperidin-4-ylpiperazine
CID 126670146
[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
CID 155576987
[(2R,5S)-4-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol
CID 126642183
(7S,9aR)-7-[(4-chlorophenyl)methyl]-8-piperidin-4-yl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 155765909
5-[(4-chlorophenyl)methyl]-2-(methylsulfinylmethyl)-4-piperidin-4-ylmorpholine;ethane
CID 155577029
(2S,4R)-2-[(4-chlorophenyl)methyl]-4-methoxy-1-piperidin-4-ylpiperidine;hydrochloride
CID 126641936
(8aS)-3-[(4-chlorophenyl)methyl]-2-piperidin-4-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;tert-butyl 4-[(8aS)-3-[(4-chlorophenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]piperidine-1-carboxylate;methane
CID 157266073
(2S,5S)-2,5-bis[(4-chlorophenyl)methyl]-1-methylpiperazine
CID 169042731
[(2R)-4-[1-(5-amino-4H-pyrazol-3-yl)piperidin-4-yl]-5-[(4-chlorophenyl)methyl]-1-methylpiperazin-2-yl]methanol;5-[4-[(5S)-2,5-bis[(4-chlorophenyl)methyl]-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[(5S)-2-[(4-chlorophenyl)methyl]-5-(cyclohexylmethyl)-4-methylpiperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine;5-[4-[2-[(4-chlorophenyl)methyl]-4-(2-methylpropyl)piperazin-1-yl]piperidin-1-yl]-4H-pyrazol-3-amine
CID 159932582
4-[[(2S,5S)-5-[(4-chlorophenyl)methyl]-4-[1-(4-chloro-2-pyridinyl)piperidin-4-yl]-1-methylpiperazin-2-yl]methyl]morpholine
CID 168678998
(2S,5S)-5-[(4-chlorophenyl)methyl]-4-cyclohexyl-2-methylmorpholine
CID 170197390
(5S)-5-[(4-chlorophenyl)methyl]-2-cyclopropyl-1-methyl-4-(1-pyridin-2-ylpiperidin-4-yl)piperazine
CID 170197918

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The IUPAC name of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol (CID 126668161) is [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The canonical SMILES for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol is CN1CC(Cc2ccc(Cl)cc2)N(C2CCNCC2)CC1CO.
What is the InChIKey of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
The InChIKey is ZJKWHOPAAMMKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O/c1-21-11-17(10-14-2-4-15(19)5-3-14)22(12-18(21)13-23)16-6-8-20-9-7-16/h2-5,16-18,20,23H,6-13H2,1H3.
What are the key properties of [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol?
[5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol has a molecular weight of 337.89 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methyl]-1-methyl-4-piperidin-4-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 126668161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).