1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride

C25H38Cl2N2O2 — CID 21300710

IUPAC1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride
SMILESCCCCOc1ccccc1N(C)CCC1(O)CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C25H36N2O2.2ClH/c1-3-4-20-29-24-13-9-8-12-23(24)26(2)17-14-25(28)15-18-27(19-16-25)21-22-10-6-5-7-11-22;;/h5-13,28H,3-4,14-21H2,1-2H3;2*1H
InChIKeyDLAIMOPSHPTPSI-UHFFFAOYSA-N
MW469.50 g/mol
LogP5.56
Rot. Bonds10

About 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride

1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride (PubChem CID 21300710) has the molecular formula C25H38Cl2N2O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride
PubChem CID21300710
Molecular FormulaC25H38Cl2N2O2
Molecular Weight469.50 g/mol
Exact Mass468.23
IUPAC Name1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride
SMILESCCCCOc1ccccc1N(C)CCC1(O)CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C25H36N2O2.2ClH/c1-3-4-20-29-24-13-9-8-12-23(24)26(2)17-14-25(28)15-18-27(19-16-25)21-22-10-6-5-7-11-22;;/h5-13,28H,3-4,14-21H2,1-2H3;2*1H
InChIKeyDLAIMOPSHPTPSI-UHFFFAOYSA-N
XLogP5.56
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[2-[4-(2-cyclopropylethoxy)-N-methylanilino]ethyl]piperidin-4-ol;dihydrochloride
CID 21300713
methyl 4-[[4-hydroxy-4-[2-(N-methyl-2-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzoate;dihydrochloride
CID 21300703
1-benzyl-4-[2-(4-hydroxy-N-methylanilino)ethyl]piperidin-4-ol
CID 21300720
1-benzyl-4-(2-phenylethyl)piperidin-4-ol
CID 143477186
1-[(3-chlorophenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300675
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
3-(1-benzyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66322768
4-[2-(4-butoxy-N-methylanilino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
CID 21300799
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide
CID 21300923
1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497039
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-(2-phenoxyethyl)piperidin-4-ol;dihydrochloride
CID 21300860
1-[(2-methoxyphenyl)methyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 21300668

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride?
The IUPAC name of 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride (CID 21300710) is 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride is CCCCOc1ccccc1N(C)CCC1(O)CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride?
The InChIKey is DLAIMOPSHPTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2.2ClH/c1-3-4-20-29-24-13-9-8-12-23(24)26(2)17-14-25(28)15-18-27(19-16-25)21-22-10-6-5-7-11-22;;/h5-13,28H,3-4,14-21H2,1-2H3;2*1H.
What are the key properties of 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride?
1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride has a molecular weight of 469.50 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(2-butoxy-N-methylanilino)ethyl]piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 21300710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).