1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine

C22H26Cl3N3 — CID 46230015

IUPAC1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine
SMILESClc1ccc(N2C[C@H](CN3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H26Cl3N3/c23-17-2-5-19(6-3-17)28-15-16(14-27-11-9-26-10-12-27)1-8-22(28)20-7-4-18(24)13-21(20)25/h2-7,13,16,22,26H,1,8-12,14-15H2/t16-,22-/m0/s1
InChIKeySLLNLWVFUSGGBR-AOMKIAJQSA-N
MW438.83 g/mol
LogP5.51
Rot. Bonds4

About 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine

1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine (PubChem CID 46230015) has the molecular formula C22H26Cl3N3 and a molecular weight of 438.83 g/mol. Its IUPAC name is 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine
PubChem CID46230015
Molecular FormulaC22H26Cl3N3
Molecular Weight438.83 g/mol
Exact Mass437.12
IUPAC Name1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine
SMILESClc1ccc(N2C[C@H](CN3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C22H26Cl3N3/c23-17-2-5-19(6-3-17)28-15-16(14-27-11-9-26-10-12-27)1-8-22(28)20-7-4-18(24)13-21(20)25/h2-7,13,16,22,26H,1,8-12,14-15H2/t16-,22-/m0/s1
InChIKeySLLNLWVFUSGGBR-AOMKIAJQSA-N
XLogP5.51
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 52934004
N-[4-(4-benzyl-1-piperazinyl)phenyl]-N-(4-chlorobenzyl)amine
CID 1017282
2-Benzyl-1-(3,4-dichlorophenyl)piperazine
CID 24782489
((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methanamine
CID 46229782
2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethanamine
CID 46229896
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
CID 46229969
tert-butyl 4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazine-1-carboxylate
CID 46230014
1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-(methylsulfonyl)piperazine
CID 46230016
1-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)-4-(cyclopropylsulfonyl)piperazine
CID 46230017
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)ethanone
CID 46230070
1-(4-(((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methyl)piperazin-1-yl)-3,3-dimethylbutan-1-one
CID 46230071
N-(2-Chlorophenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 23324799

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine (CID 46230015) is 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine is Clc1ccc(N2C[C@H](CN3CCNCC3)CC[C@H]2c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine?
The InChIKey is SLLNLWVFUSGGBR-AOMKIAJQSA-N. The full InChI is InChI=1S/C22H26Cl3N3/c23-17-2-5-19(6-3-17)28-15-16(14-27-11-9-26-10-12-27)1-8-22(28)20-7-4-18(24)13-21(20)25/h2-7,13,16,22,26H,1,8-12,14-15H2/t16-,22-/m0/s1.
What are the key properties of 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine?
1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine has a molecular weight of 438.83 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 46230015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).