1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine

C20H32N2O3 — CID 171273819

IUPAC1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C20H32N2O3/c1-23-17-10-9-16(19(24-2)20(17)25-3)18(15-7-5-4-6-8-15)22-13-11-21-12-14-22/h9-10,15,18,21H,4-8,11-14H2,1-3H3/t18-/m0/s1
InChIKeyYTHCBIOYVJYCTH-SFHVURJKSA-N
MW348.49 g/mol
LogP3.24
Rot. Bonds6

About 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine

1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 171273819) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID171273819
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1OC
InChIInChI=1S/C20H32N2O3/c1-23-17-10-9-16(19(24-2)20(17)25-3)18(15-7-5-4-6-8-15)22-13-11-21-12-14-22/h9-10,15,18,21H,4-8,11-14H2,1-3H3/t18-/m0/s1
InChIKeyYTHCBIOYVJYCTH-SFHVURJKSA-N
XLogP3.24
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
1-[(R)-cyclopentyl-(4-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171170170
1-[(R)-cyclopentyl-(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 171168899
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171287129

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 171273819) is 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc([C@H](C2CCCCC2)N2CCNCC2)c(OC)c1OC.
What is the InChIKey of 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is YTHCBIOYVJYCTH-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-23-17-10-9-16(19(24-2)20(17)25-3)18(15-7-5-4-6-8-15)22-13-11-21-12-14-22/h9-10,15,18,21H,4-8,11-14H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine?
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 348.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 171273819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).