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

C20H25ClN2 — CID 118119341

IUPAC1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine
SMILESCCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1
InChIKeyBAIWURLZDAJZPV-HXUWFJFHSA-N
MW328.89 g/mol
LogP4.46
Rot. Bonds5

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

1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine (PubChem CID 118119341) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine
PubChem CID118119341
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine
SMILESCCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1
InChIKeyBAIWURLZDAJZPV-HXUWFJFHSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.46
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-propylpiperazine?
The IUPAC name of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine (CID 118119341) is 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine.
What is the SMILES notation for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine?
The canonical SMILES for 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine is CCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine?
The InChIKey is BAIWURLZDAJZPV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-2-12-22-13-15-23(16-14-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,20H,2,12-16H2,1H3/t20-/m1/s1.
What are the key properties of 1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine?
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine has a molecular weight of 328.89 g/mol, XLogP of 4.46, 5 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-propylpiperazine is sourced from PubChem (CID 118119341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).