(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

C16H22N2O2 — CID 74236555

IUPAC(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1)N1CC(O)C1
InChIInChI=1S/C16H22N2O2/c19-15-11-18(12-15)16(20)14-6-4-13(5-7-14)10-17-8-2-1-3-9-17/h4-7,15,19H,1-3,8-12H2
InChIKeyDDNUQVWOHFHILX-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.49
Rot. Bonds3

About (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone

(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (PubChem CID 74236555) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
PubChem CID74236555
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(CN2CCCCC2)cc1)N1CC(O)C1
InChIInChI=1S/C16H22N2O2/c19-15-11-18(12-15)16(20)14-6-4-13(5-7-14)10-17-8-2-1-3-9-17/h4-7,15,19H,1-3,8-12H2
InChIKeyDDNUQVWOHFHILX-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72923369
piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
2-methyl-1-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111393978
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 90653096
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
[4-[(4-benzylpiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 1354348
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
4-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]piperazine-1-sulfonamide
CID 134043084
(4-pyridin-4-ylpiperazin-1-yl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 74234746
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 167833927
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72877286
2,2-dimethyl-1-[4-(piperidin-1-ylmethyl)phenyl]propan-1-one
CID 158551228

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone (CID 74236555) is (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is O=C(c1ccc(CN2CCCCC2)cc1)N1CC(O)C1.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
The InChIKey is DDNUQVWOHFHILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15-11-18(12-15)16(20)14-6-4-13(5-7-14)10-17-8-2-1-3-9-17/h4-7,15,19H,1-3,8-12H2.
What are the key properties of (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone?
(3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-[4-(piperidin-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 74236555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).