1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride

C17H21Cl3N2 — CID 24745687

IUPAC1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h1-9,17,19H,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyLBFBMRCUZCPOAO-ZEECNFPPSA-N
MW359.73 g/mol
LogP4.18
Rot. Bonds3

About 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride

1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride (PubChem CID 24745687) has the molecular formula C17H21Cl3N2 and a molecular weight of 359.73 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
PubChem CID24745687
Molecular FormulaC17H21Cl3N2
Molecular Weight359.73 g/mol
Exact Mass358.08
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
SMILESCl.Cl.Clc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C17H19ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h1-9,17,19H,10-13H2;2*1H/t17-;;/m1../s1
InChIKeyLBFBMRCUZCPOAO-ZEECNFPPSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.73
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-[(4-benzylphenyl)-(4-chlorophenyl)methyl]piperazine
CID 4738631
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]piperazine
CID 3779620
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[(3-chlorophenyl)-(4-phenylphenyl)methyl]-1,4-diazepane
CID 3829385
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-ethylphenyl)-phenylmethyl]piperazine
CID 3530514
1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
CID 23447945
1-[(4-chlorophenyl)-phenylmethyl]-2,2,3,3,5,5,6,6-octadeuteriopiperazine
CID 46780996
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride (CID 24745687) is 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride is Cl.Cl.Clc1ccc([C@@H](c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride?
The InChIKey is LBFBMRCUZCPOAO-ZEECNFPPSA-N. The full InChI is InChI=1S/C17H19ClN2.2ClH/c18-16-8-6-15(7-9-16)17(14-4-2-1-3-5-14)20-12-10-19-11-13-20;;/h1-9,17,19H,10-13H2;2*1H/t17-;;/m1../s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride?
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride has a molecular weight of 359.73 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride is sourced from PubChem (CID 24745687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).