5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide

C18H28N2O2 — CID 173077307

IUPAC5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide
SMILESCC(C)(CCCC(N)=O)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,10-4-7-17(19)22)20-11-8-14(9-12-20)15-5-3-6-16(21)13-15/h3,5-6,13-14,21H,4,7-12H2,1-2H3,(H2,19,22)
InChIKeyPYXCAQVNBYDUNZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.01
Rot. Bonds6

About 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide

5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide (PubChem CID 173077307) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide.

Molecular Properties

Compound Name5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide
PubChem CID173077307
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide
SMILESCC(C)(CCCC(N)=O)N1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,10-4-7-17(19)22)20-11-8-14(9-12-20)15-5-3-6-16(21)13-15/h3,5-6,13-14,21H,4,7-12H2,1-2H3,(H2,19,22)
InChIKeyPYXCAQVNBYDUNZ-UHFFFAOYSA-N
XLogP3.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
CID 118239135
3-[4-(3-hydroxyphenyl)piperidin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 95124446
3-cyclohexylphenol
CID 16036
(2S)-N-[5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexan-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66862493
3-(1-propan-2-ylazepan-4-yl)phenol
CID 143519435
1-tert-butyl-4-(3-methylphenyl)piperidine
CID 158482737
3-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 167227782
[4-(3-hydroxyphenyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70774589
[6-(dimethylamino)-3-pyridinyl]-[4-(3-hydroxyphenyl)piperidin-1-yl]methanone
CID 74238538
4-(3-hydroxyphenyl)-N-[(2R)-2-pyrrolidin-1-ylpropyl]piperidine-1-carboxamide
CID 125443318

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide?
The IUPAC name of 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide (CID 173077307) is 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide.
What is the SMILES notation for 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide?
The canonical SMILES for 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide is CC(C)(CCCC(N)=O)N1CCC(c2cccc(O)c2)CC1.
What is the InChIKey of 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide?
The InChIKey is PYXCAQVNBYDUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,10-4-7-17(19)22)20-11-8-14(9-12-20)15-5-3-6-16(21)13-15/h3,5-6,13-14,21H,4,7-12H2,1-2H3,(H2,19,22).
What are the key properties of 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide?
5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide has a molecular weight of 304.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-hydroxyphenyl)piperidin-1-yl]-5-methylhexanamide is sourced from PubChem (CID 173077307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).