1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine

C18H20Cl2N2 — CID 7085144

IUPAC1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
SMILESC[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16/h2-8,13-14H,9-12H2,1H3/t14-/m1/s1
InChIKeyYFARKOXLNOAESC-CQSZACIVSA-N
MW335.28 g/mol
LogP4.88
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine

1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine (PubChem CID 7085144) has the molecular formula C18H20Cl2N2 and a molecular weight of 335.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
PubChem CID7085144
Molecular FormulaC18H20Cl2N2
Molecular Weight335.28 g/mol
Exact Mass334.10
IUPAC Name1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine
SMILESC[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H20Cl2N2/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16/h2-8,13-14H,9-12H2,1H3/t14-/m1/s1
InChIKeyYFARKOXLNOAESC-CQSZACIVSA-N
XLogP4.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-4-(1-phenylethyl)piperazine;dihydrochloride
CID 138111695
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
[[2-chloro-4-[4-(1-phenylethyl)piperazin-1-yl]phenyl]methylideneamino]thiourea
CID 76572291
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 22198819
2-(aminomethyl)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-phenylpropanal
CID 87769902
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
2-chloro-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]benzoic acid
CID 177332987

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine (CID 7085144) is 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine is C[C@H](c1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine?
The InChIKey is YFARKOXLNOAESC-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20Cl2N2/c1-14(15-5-3-2-4-6-15)21-9-11-22(12-10-21)16-7-8-17(19)18(20)13-16/h2-8,13-14H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine?
1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine has a molecular weight of 335.28 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-[(1R)-1-phenylethyl]piperazine is sourced from PubChem (CID 7085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).