2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

C14H26N2O2 — CID 60769000

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C14H26N2O2/c1-12(14(18)16-7-3-2-4-8-16)15-9-5-13(11-17)6-10-15/h12-13,17H,2-11H2,1H3
InChIKeyUXXPFRJUOXSAFR-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds3

About 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 60769000) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID60769000
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(CO)CC1
InChIInChI=1S/C14H26N2O2/c1-12(14(18)16-7-3-2-4-8-16)15-9-5-13(11-17)6-10-15/h12-13,17H,2-11H2,1H3
InChIKeyUXXPFRJUOXSAFR-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63847543
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
2-[(3R)-3-aminopiperidin-1-yl]-1-(azepan-1-yl)propan-1-one
CID 102977209

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 60769000) is 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is UXXPFRJUOXSAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(14(18)16-7-3-2-4-8-16)15-9-5-13(11-17)6-10-15/h12-13,17H,2-11H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 254.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60769000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).