1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine

C20H30ClN3O — CID 143238058

IUPAC1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine
SMILESCc1ccc(N2CCN(CC3CCN(OC4CC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN3O/c1-16-2-5-20(19(21)14-16)23-12-10-22(11-13-23)15-17-6-8-24(9-7-17)25-18-3-4-18/h2,5,14,17-18H,3-4,6-13,15H2,1H3
InChIKeyRMQFGOAWDWGXFL-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.58
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine

1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine (PubChem CID 143238058) has the molecular formula C20H30ClN3O and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine
PubChem CID143238058
Molecular FormulaC20H30ClN3O
Molecular Weight363.93 g/mol
Exact Mass363.21
IUPAC Name1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine
SMILESCc1ccc(N2CCN(CC3CCN(OC4CC4)CC3)CC2)c(Cl)c1
InChIInChI=1S/C20H30ClN3O/c1-16-2-5-20(19(21)14-16)23-12-10-22(11-13-23)15-17-6-8-24(9-7-17)25-18-3-4-18/h2,5,14,17-18H,3-4,6-13,15H2,1H3
InChIKeyRMQFGOAWDWGXFL-UHFFFAOYSA-N
XLogP3.58
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-tert-butylpiperidin-4-yl)methyl]-4-(2-methoxy-4-methylphenyl)piperazine
CID 171429427
(1R)-1-[3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]ethanol
CID 63371203
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938749
1-[1-(2-chloro-4-methylphenyl)piperidin-4-yl]propan-1-one
CID 70992327
1-(2-chloro-4-methylphenyl)-4,4-dimethoxypiperidine
CID 19957775
(3S)-1-(2-chloro-4-methylphenyl)-3-methylpiperazine
CID 96801099
1-[3-chloro-2-(chloromethyl)phenyl]-4-(cyclopropylmethyl)piperazine
CID 61445626
[4-[[4-[2-chloro-4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazin-1-yl]methyl]piperidin-1-yl] carbamate
CID 175537818
N-[[5-chloro-2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methyl]ethanamine
CID 114849185
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylphenyl]ethanamine
CID 63785404
1-(2-chloro-5-methylphenyl)-4-methoxypiperidine
CID 142618603
5-bromo-2-[4-(cyclopropylmethyl)piperazin-1-yl]benzonitrile
CID 112694683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine (CID 143238058) is 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine is Cc1ccc(N2CCN(CC3CCN(OC4CC4)CC3)CC2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine?
The InChIKey is RMQFGOAWDWGXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O/c1-16-2-5-20(19(21)14-16)23-12-10-22(11-13-23)15-17-6-8-24(9-7-17)25-18-3-4-18/h2,5,14,17-18H,3-4,6-13,15H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine?
1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine has a molecular weight of 363.93 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-4-[(1-cyclopropyloxypiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 143238058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).