1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine

C18H27ClN2O2 — CID 171288017

IUPAC1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(Cl)c1OC
InChIInChI=1S/C18H27ClN2O2/c1-22-15-8-7-14(16(19)18(15)23-2)17(13-5-3-4-6-13)21-11-9-20-10-12-21/h7-8,13,17,20H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyXJKQDKJEKLTZTR-QGZVFWFLSA-N
MW338.88 g/mol
LogP3.49
Rot. Bonds5

About 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine

1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine (PubChem CID 171288017) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine.

Molecular Properties

Compound Name1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
PubChem CID171288017
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
SMILESCOc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(Cl)c1OC
InChIInChI=1S/C18H27ClN2O2/c1-22-15-8-7-14(16(19)18(15)23-2)17(13-5-3-4-6-13)21-11-9-20-10-12-21/h7-8,13,17,20H,3-6,9-12H2,1-2H3/t17-/m1/s1
InChIKeyXJKQDKJEKLTZTR-QGZVFWFLSA-N
XLogP3.49
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(S)-(5-chloro-2-methoxyphenyl)-cyclopentylmethyl]piperazine;dihydrochloride
CID 171283371
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(S)-cyclobutyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171179587

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine?
The IUPAC name of 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine (CID 171288017) is 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine.
What is the SMILES notation for 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine?
The canonical SMILES for 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine is COc1ccc([C@@H](C2CCCC2)N2CCNCC2)c(Cl)c1OC.
What is the InChIKey of 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine?
The InChIKey is XJKQDKJEKLTZTR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-22-15-8-7-14(16(19)18(15)23-2)17(13-5-3-4-6-13)21-11-9-20-10-12-21/h7-8,13,17,20H,3-6,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine?
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine has a molecular weight of 338.88 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine is sourced from PubChem (CID 171288017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).