2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol

C30H51N3O4 — CID 141293787

IUPAC2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
SMILESCC(O)C1CCCCN1Cc1cc(CN2CCCCC2C(C)O)c(O)c(CN2CCCCC2C(C)O)c1
InChIInChI=1S/C30H51N3O4/c1-21(34)27-10-4-7-13-31(27)18-24-16-25(19-32-14-8-5-11-28(32)22(2)35)30(37)26(17-24)20-33-15-9-6-12-29(33)23(3)36/h16-17,21-23,27-29,34-37H,4-15,18-20H2,1-3H3
InChIKeyJZPDZHSKWFFDHS-UHFFFAOYSA-N
MW517.76 g/mol
LogP3.60
Rot. Bonds9

About 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol

2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol (PubChem CID 141293787) has the molecular formula C30H51N3O4 and a molecular weight of 517.76 g/mol. Its IUPAC name is 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
PubChem CID141293787
Molecular FormulaC30H51N3O4
Molecular Weight517.76 g/mol
Exact Mass517.39
IUPAC Name2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
SMILESCC(O)C1CCCCN1Cc1cc(CN2CCCCC2C(C)O)c(O)c(CN2CCCCC2C(C)O)c1
InChIInChI=1S/C30H51N3O4/c1-21(34)27-10-4-7-13-31(27)18-24-16-25(19-32-14-8-5-11-28(32)22(2)35)30(37)26(17-24)20-33-15-9-6-12-29(33)23(3)36/h16-17,21-23,27-29,34-37H,4-15,18-20H2,1-3H3
InChIKeyJZPDZHSKWFFDHS-UHFFFAOYSA-N
XLogP3.60
TPSA90.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.76
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
CID 95354319
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
(1R)-1-[(2S)-1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 129390025
1-[1-[(4-aminophenyl)methyl]pyrrolidin-2-yl]ethanol
CID 59300179
(1R)-1-[(2R)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]ethanol
CID 95353429
(1S)-1-[(2R)-1-(2-propan-2-yloxyethyl)piperidin-2-yl]ethanol
CID 98759209
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methylchromen-2-one
CID 111106970

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol (CID 141293787) is 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol is CC(O)C1CCCCN1Cc1cc(CN2CCCCC2C(C)O)c(O)c(CN2CCCCC2C(C)O)c1.
What is the InChIKey of 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is JZPDZHSKWFFDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51N3O4/c1-21(34)27-10-4-7-13-31(27)18-24-16-25(19-32-14-8-5-11-28(32)22(2)35)30(37)26(17-24)20-33-15-9-6-12-29(33)23(3)36/h16-17,21-23,27-29,34-37H,4-15,18-20H2,1-3H3.
What are the key properties of 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol?
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 517.76 g/mol, XLogP of 3.60, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 141293787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).