1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

C23H33N3O2 — CID 29021888

IUPAC1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(C)c(C)o3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-18-15-21(28-19(18)2)17-24-10-6-7-20(16-24)25-11-13-26(14-12-25)22-8-4-5-9-23(22)27-3/h4-5,8-9,15,20H,6-7,10-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyDHFXSQANPLSCRA-FQEVSTJZSA-N
MW383.54 g/mol
LogP3.69
Rot. Bonds5

About 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine

1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (PubChem CID 29021888) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
PubChem CID29021888
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(C)c(C)o3)C2)CC1
InChIInChI=1S/C23H33N3O2/c1-18-15-21(28-19(18)2)17-24-10-6-7-20(16-24)25-11-13-26(14-12-25)22-8-4-5-9-23(22)27-3/h4-5,8-9,15,20H,6-7,10-14,16-17H2,1-3H3/t20-/m0/s1
InChIKeyDHFXSQANPLSCRA-FQEVSTJZSA-N
XLogP3.69
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
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-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine (CID 29021888) is 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN([C@H]2CCCN(Cc3cc(C)c(C)o3)C2)CC1.
What is the InChIKey of 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DHFXSQANPLSCRA-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-18-15-21(28-19(18)2)17-24-10-6-7-20(16-24)25-11-13-26(14-12-25)22-8-4-5-9-23(22)27-3/h4-5,8-9,15,20H,6-7,10-14,16-17H2,1-3H3/t20-/m0/s1.
What are the key properties of 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine?
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 383.54 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 29021888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).