1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C20H31N3O — CID 95709049

IUPAC1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESC=CCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1
InChIInChI=1S/C20H31N3O/c1-3-4-11-21-12-7-8-18(17-21)22-13-15-23(16-14-22)19-9-5-6-10-20(19)24-2/h3,5-6,9-10,18H,1,4,7-8,11-17H2,2H3/t18-/m1/s1
InChIKeyMSAYELKHNYUBSV-GOSISDBHSA-N
MW329.49 g/mol
LogP2.86
Rot. Bonds6

About 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 95709049) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID95709049
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESC=CCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1
InChIInChI=1S/C20H31N3O/c1-3-4-11-21-12-7-8-18(17-21)22-13-15-23(16-14-22)19-9-5-6-10-20(19)24-2/h3,5-6,9-10,18H,1,4,7-8,11-17H2,2H3/t18-/m1/s1
InChIKeyMSAYELKHNYUBSV-GOSISDBHSA-N
XLogP2.86
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 95709049) is 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is C=CCCN1CCC[C@@H](N2CCN(c3ccccc3OC)CC2)C1.
What is the InChIKey of 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is MSAYELKHNYUBSV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-4-11-21-12-7-8-18(17-21)22-13-15-23(16-14-22)19-9-5-6-10-20(19)24-2/h3,5-6,9-10,18H,1,4,7-8,11-17H2,2H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 329.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 95709049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).