1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride

C16H26Cl3N3 — CID 119932561

IUPAC1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CCN(CC3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24ClN3.2ClH/c17-15-1-3-16(4-2-15)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14;;/h1-4,14,18H,5-13H2;2*1H
InChIKeyULKPLCVXPMEBIS-UHFFFAOYSA-N
MW366.76 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride

1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride (PubChem CID 119932561) has the molecular formula C16H26Cl3N3 and a molecular weight of 366.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
PubChem CID119932561
Molecular FormulaC16H26Cl3N3
Molecular Weight366.76 g/mol
Exact Mass365.12
IUPAC Name1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CCN(CC3CCNCC3)CC2)cc1
InChIInChI=1S/C16H24ClN3.2ClH/c17-15-1-3-16(4-2-15)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14;;/h1-4,14,18H,5-13H2;2*1H
InChIKeyULKPLCVXPMEBIS-UHFFFAOYSA-N
XLogP3.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119843563
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
CID 171070054
1-(4-chlorophenyl)-4-[(4-methylpiperidin-4-yl)methyl]piperazine
CID 63122836
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]thiomorpholine
CID 82916644
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]methanol
CID 61445571
2-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine
CID 119930317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride (CID 119932561) is 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride is Cl.Cl.Clc1ccc(N2CCN(CC3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride?
The InChIKey is ULKPLCVXPMEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3.2ClH/c17-15-1-3-16(4-2-15)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14;;/h1-4,14,18H,5-13H2;2*1H.
What are the key properties of 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride?
1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride has a molecular weight of 366.76 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(piperidin-4-ylmethyl)piperazine;dihydrochloride is sourced from PubChem (CID 119932561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).