1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine

C18H26N2O — CID 40533110

IUPAC1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O/c1-21-18-10-6-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-2-4-8-16/h2-3,5-6,9-10,16H,4,7-8,11-15H2,1H3/t16-/m0/s1
InChIKeyKSLAKFCJGYODCV-INIZCTEOSA-N
MW286.42 g/mol
LogP3.17
Rot. Bonds4

About 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine

1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 40533110) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID40533110
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1
InChIInChI=1S/C18H26N2O/c1-21-18-10-6-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-2-4-8-16/h2-3,5-6,9-10,16H,4,7-8,11-15H2,1H3/t16-/m0/s1
InChIKeyKSLAKFCJGYODCV-INIZCTEOSA-N
XLogP3.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 806654
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine
CID 7026419
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(2-methoxyphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10829708
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
1-[[1-(4-ethenylphenyl)sulfonylpiperidin-4-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 149281042
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine (CID 40533110) is 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1.
What is the InChIKey of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is KSLAKFCJGYODCV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O/c1-21-18-10-6-5-9-17(18)20-13-11-19(12-14-20)15-16-7-3-2-4-8-16/h2-3,5-6,9-10,16H,4,7-8,11-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine?
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 286.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 40533110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).