1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine

C19H23ClN2 — CID 118119339

IUPAC1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3/t19-/m1/s1
InChIKeyDNCBAXHUOSCWMJ-LJQANCHMSA-N
MW314.86 g/mol
LogP4.07
Rot. Bonds4

About 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine

1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine (PubChem CID 118119339) has the molecular formula C19H23ClN2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine
PubChem CID118119339
Molecular FormulaC19H23ClN2
Molecular Weight314.86 g/mol
Exact Mass314.15
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3/t19-/m1/s1
InChIKeyDNCBAXHUOSCWMJ-LJQANCHMSA-N
XLogP4.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Cyclizine
CID 6726
Buclizine
CID 6729
Meclizine
CID 4034
Homochlorcyclizine
CID 3627
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Zicronapine
CID 11465618
Buclizine Hydrochloride
CID 65463
Cyclizine Hydrochloride
CID 6420019
Meclozine Dihydrochloride
CID 64713
Meclizine Hydrochloride
CID 173612

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine (CID 118119339) is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine is CCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine?
The InChIKey is DNCBAXHUOSCWMJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23ClN2/c1-2-21-12-14-22(15-13-21)19(16-6-4-3-5-7-16)17-8-10-18(20)11-9-17/h3-11,19H,2,12-15H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine?
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine has a molecular weight of 314.86 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-ethylpiperazine is sourced from PubChem (CID 118119339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).