6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide

C28H40N2O4 — CID 19992327

IUPAC6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(CCCCCC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C28H40N2O4/c1-29(2)27(31)8-6-5-7-19-30-20-17-24(18-21-30)28(32,22-9-13-25(33-3)14-10-22)23-11-15-26(34-4)16-12-23/h9-16,24,32H,5-8,17-21H2,1-4H3
InChIKeyBJCMUWGHQFMIHS-UHFFFAOYSA-N
MW468.64 g/mol
LogP4.30
Rot. Bonds11

About 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide

6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide (PubChem CID 19992327) has the molecular formula C28H40N2O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide.

Molecular Properties

Compound Name6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
PubChem CID19992327
Molecular FormulaC28H40N2O4
Molecular Weight468.64 g/mol
Exact Mass468.30
IUPAC Name6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
SMILESCOc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(CCCCCC(=O)N(C)C)CC2)cc1
InChIInChI=1S/C28H40N2O4/c1-29(2)27(31)8-6-5-7-19-30-20-17-24(18-21-30)28(32,22-9-13-25(33-3)14-10-22)23-11-15-26(34-4)16-12-23/h9-16,24,32H,5-8,17-21H2,1-4H3
InChIKeyBJCMUWGHQFMIHS-UHFFFAOYSA-N
XLogP4.30
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[hydroxy-bis(4-methylphenyl)methyl]piperidin-1-yl]-N,N-dimethylpentanamide
CID 19992273
4-[4-[bis(3,4-difluorophenyl)-hydroxymethyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 19992279
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 11837570
O-ethyl 5-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]pentanethioate
CID 139675543
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 14407140
5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate
CID 15042256
bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
3-[4-[bis(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]propan-1-ol
CID 19989943
cyclopropyl-(4-fluorophenyl)-(4-methoxyphenyl)methanol
CID 154301932
diethyl 2-ethyl-2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]propanedioate
CID 134872458
methyl 3-[3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propoxy]benzoate
CID 51049667
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854

Frequently Asked Questions

What is the IUPAC name of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide?
The IUPAC name of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide (CID 19992327) is 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide.
What is the SMILES notation for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide?
The canonical SMILES for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide is COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(CCCCCC(=O)N(C)C)CC2)cc1.
What is the InChIKey of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide?
The InChIKey is BJCMUWGHQFMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O4/c1-29(2)27(31)8-6-5-7-19-30-20-17-24(18-21-30)28(32,22-9-13-25(33-3)14-10-22)23-11-15-26(34-4)16-12-23/h9-16,24,32H,5-8,17-21H2,1-4H3.
What are the key properties of 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide?
6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide has a molecular weight of 468.64 g/mol, XLogP of 4.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide is sourced from PubChem (CID 19992327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).