(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

C23H32N2O3 — CID 3046827

IUPAC(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2[C@@H](C)CN(c3ccccc3)CC2(C)C)c(OC)c1OC
InChIInChI=1S/C23H32N2O3/c1-17-14-24(19-10-8-7-9-11-19)16-23(2,3)25(17)15-18-12-13-20(26-4)22(28-6)21(18)27-5/h7-13,17H,14-16H2,1-6H3/t17-/m0/s1
InChIKeyKKPBRWXWLUFXEC-KRWDZBQOSA-N
MW384.52 g/mol
LogP4.20
Rot. Bonds6

About (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine

(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (PubChem CID 3046827) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
PubChem CID3046827
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2[C@@H](C)CN(c3ccccc3)CC2(C)C)c(OC)c1OC
InChIInChI=1S/C23H32N2O3/c1-17-14-24(19-10-8-7-9-11-19)16-23(2,3)25(17)15-18-12-13-20(26-4)22(28-6)21(18)27-5/h7-13,17H,14-16H2,1-6H3/t17-/m0/s1
InChIKeyKKPBRWXWLUFXEC-KRWDZBQOSA-N
XLogP4.20
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Lomerizine
CID 3949
Lomerizine Hydrochloride
CID 122125
4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline
CID 364716
LOMERIZINE DiHCl
CID 13579832
Dimethyl-{4-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-phenyl}-amine
CID 15696370
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373798
4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline
CID 373800
(2,3-Dimethoxybenzyl)[4-(1-piperidinyl)phenyl]amine
CID 834331
1-(3,5-Dimethoxy-benzyl)-4-(2,3-dimethoxy-benzyl)-piperazine
CID 1222695
6-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 2466853
1,3-Diphenyl-2-(3,4,5-trimethoxyphenyl)imidazolidine
CID 292557
4-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]aniline hydrochloride
CID 372855

Frequently Asked Questions

What is the IUPAC name of (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The IUPAC name of (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CID 3046827) is (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The canonical SMILES for (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is COc1ccc(CN2[C@@H](C)CN(c3ccccc3)CC2(C)C)c(OC)c1OC.
What is the InChIKey of (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
The InChIKey is KKPBRWXWLUFXEC-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-17-14-24(19-10-8-7-9-11-19)16-23(2,3)25(17)15-18-12-13-20(26-4)22(28-6)21(18)27-5/h7-13,17H,14-16H2,1-6H3/t17-/m0/s1.
What are the key properties of (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine?
(6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine has a molecular weight of 384.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2,6-trimethyl-4-phenyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3046827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).