1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine

C19H30N2O — CID 786304

IUPAC1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
SMILESCOc1cccc(CN2CCN([C@H]3CCC[C@H](C)C3)CC2)c1
InChIInChI=1S/C19H30N2O/c1-16-5-3-7-18(13-16)21-11-9-20(10-12-21)15-17-6-4-8-19(14-17)22-2/h4,6,8,14,16,18H,3,5,7,9-13,15H2,1-2H3/t16-,18-/m0/s1
InChIKeyUUVVFTHEEURCEN-WMZOPIPTSA-N
MW302.46 g/mol
LogP3.39
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine

1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine (PubChem CID 786304) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
PubChem CID786304
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
SMILESCOc1cccc(CN2CCN([C@H]3CCC[C@H](C)C3)CC2)c1
InChIInChI=1S/C19H30N2O/c1-16-5-3-7-18(13-16)21-11-9-20(10-12-21)15-17-6-4-8-19(14-17)22-2/h4,6,8,14,16,18H,3,5,7,9-13,15H2,1-2H3/t16-,18-/m0/s1
InChIKeyUUVVFTHEEURCEN-WMZOPIPTSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
1-[(3-chlorophenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 7108986
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
1-[(1R,3S)-3-methylcyclohexyl]-4-(pyridin-3-ylmethyl)piperazine
CID 828666
1-[(3,4-dimethoxyphenyl)methyl]-4-(3-methylcyclohexyl)piperazine;oxalic acid
CID 90483881
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-[(4-methoxyphenyl)methyl]-4-(3-methylcyclopentyl)-1,4-diazepane
CID 75397616
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine;oxalic acid
CID 126477231
1-[(1S,3R)-3-methylcyclohexyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131768
1-(1,3-benzodioxol-5-ylmethyl)-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 764113

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine (CID 786304) is 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine is COc1cccc(CN2CCN([C@H]3CCC[C@H](C)C3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
The InChIKey is UUVVFTHEEURCEN-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H30N2O/c1-16-5-3-7-18(13-16)21-11-9-20(10-12-21)15-17-6-4-8-19(14-17)22-2/h4,6,8,14,16,18H,3,5,7,9-13,15H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine?
1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine has a molecular weight of 302.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine is sourced from PubChem (CID 786304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).