1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

C23H30ClN3O — CID 1332232

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H30ClN3O/c1-28-23-5-3-2-4-22(23)27-16-14-26(15-17-27)21-10-12-25(13-11-21)18-19-6-8-20(24)9-7-19/h2-9,21H,10-18H2,1H3
InChIKeyWVRQIGQKSWDJOP-UHFFFAOYSA-N
MW399.97 g/mol
LogP4.14
Rot. Bonds5

About 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1332232) has the molecular formula C23H30ClN3O and a molecular weight of 399.97 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID1332232
Molecular FormulaC23H30ClN3O
Molecular Weight399.97 g/mol
Exact Mass399.21
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C23H30ClN3O/c1-28-23-5-3-2-4-22(23)27-16-14-26(15-17-27)21-10-12-25(13-11-21)18-19-6-8-20(24)9-7-19/h2-9,21H,10-18H2,1H3
InChIKeyWVRQIGQKSWDJOP-UHFFFAOYSA-N
XLogP4.14
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.97
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-[1-(2-methoxyethyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 91811532
5-[[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 154883654
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-one
CID 10565307
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 7111600
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
1-[(2-methoxyphenyl)methyl]-4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepane;hydrochloride
CID 24736584
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine (CID 1332232) is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C2CCN(Cc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is WVRQIGQKSWDJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O/c1-28-23-5-3-2-4-22(23)27-16-14-26(15-17-27)21-10-12-25(13-11-21)18-19-6-8-20(24)9-7-19/h2-9,21H,10-18H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine?
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 399.97 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).