3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

C23H31N3O2 — CID 23723618

IUPAC3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3cccc(O)c3)C2)CC1
InChIInChI=1S/C23H31N3O2/c1-28-23-10-3-2-9-22(23)26-14-12-25(13-15-26)20-7-5-11-24(18-20)17-19-6-4-8-21(27)16-19/h2-4,6,8-10,16,20,27H,5,7,11-15,17-18H2,1H3
InChIKeyNMAXAULVVUDLLX-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.19
Rot. Bonds5

About 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol

3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol (PubChem CID 23723618) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
PubChem CID23723618
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol
SMILESCOc1ccccc1N1CCN(C2CCCN(Cc3cccc(O)c3)C2)CC1
InChIInChI=1S/C23H31N3O2/c1-28-23-10-3-2-9-22(23)26-14-12-25(13-15-26)20-7-5-11-24(18-20)17-19-6-4-8-21(27)16-19/h2-4,6,8-10,16,20,27H,5,7,11-15,17-18H2,1H3
InChIKeyNMAXAULVVUDLLX-UHFFFAOYSA-N
XLogP3.19
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Anisopirol
CID 13333
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)-
CID 3826471
2-{(1E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135544868
1-[4-(4-Fluoro-phenyl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 10593421
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
19-Methoxy-5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 9882594
1-(2-Methoxyphenyl)-4-[4-(3-methoxyphenyl)cyclohexyl]piperazine
CID 10091187
1-(2-Methoxyphenyl)-4-(4-phenylbutyl)piperazine
CID 44276571
(E)-3-[4-[2-[4-[(E)-2-carboxyethenyl]-2-methoxy-N-methylanilino]ethyl-methylamino]-3-methoxyphenyl]prop-2-enoic acid
CID 44441039
1-[2-(4-Fluoro-benzyloxy)-ethyl]-4-(2-methoxy-phenyl)-piperazine
CID 23276578
4-(3-(1,2-Dihydro-6-methoxynaphthalen-4-yl)-n-propyl)-1-(2-methoxyphenyl)piperazine
CID 192638

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol (CID 23723618) is 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol is COc1ccccc1N1CCN(C2CCCN(Cc3cccc(O)c3)C2)CC1.
What is the InChIKey of 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
The InChIKey is NMAXAULVVUDLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-23-10-3-2-9-22(23)26-14-12-25(13-15-26)20-7-5-11-24(18-20)17-19-6-4-8-21(27)16-19/h2-4,6,8-10,16,20,27H,5,7,11-15,17-18H2,1H3.
What are the key properties of 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol?
3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol has a molecular weight of 381.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 23723618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).