1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane

C44H62Cl2N4 — CID 144798702

IUPAC1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
SMILESCC.CC.CCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/2C20H25ClN2.2C2H6/c2*1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18;2*1-2/h2*3-11,20H,2,12-16H2,1H3;2*1-2H3/t20-;;;/m1.../s1
InChIKeyRLPQJLBMMJBOIU-BOPOOPDGSA-N
MW717.91 g/mol
LogP10.97
Rot. Bonds10

About 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane

1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane (PubChem CID 144798702) has the molecular formula C44H62Cl2N4 and a molecular weight of 717.91 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
PubChem CID144798702
Molecular FormulaC44H62Cl2N4
Molecular Weight717.91 g/mol
Exact Mass716.44
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
SMILESCC.CC.CCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/2C20H25ClN2.2C2H6/c2*1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18;2*1-2/h2*3-11,20H,2,12-16H2,1H3;2*1-2H3/t20-;;;/m1.../s1
InChIKeyRLPQJLBMMJBOIU-BOPOOPDGSA-N
XLogP10.97
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-[(4-chlorophenyl)-phenylmethyl]-4-[2-(2-methylpropoxy)ethyl]piperazine;ethane
CID 170602345
2-[4-[(S)-[4-(4-chlorophenyl)phenyl]-phenylmethyl]piperazin-1-yl]ethanol
CID 10250805
1-benzhydryl-4-butylpiperazine
CID 13416419
2-[2-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide
CID 121489204
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetamide;dihydrochloride
CID 175673427
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-octylpiperazine
CID 12006583
2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol
CID 19933782

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane (CID 144798702) is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane is CC.CC.CCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane?
The InChIKey is RLPQJLBMMJBOIU-BOPOOPDGSA-N. The full InChI is InChI=1S/2C20H25ClN2.2C2H6/c2*1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18;2*1-2/h2*3-11,20H,2,12-16H2,1H3;2*1-2H3/t20-;;;/m1.../s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane?
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane has a molecular weight of 717.91 g/mol, XLogP of 10.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane is sourced from PubChem (CID 144798702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).