(5-hydroxyazocan-1-yl)-phenylmethanone

C14H19NO2 — CID 165346872

IUPAC(5-hydroxyazocan-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(O)CCC1
InChIInChI=1S/C14H19NO2/c16-13-8-4-10-15(11-5-9-13)14(17)12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyGYVYTWZAKCUFDL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.06
Rot. Bonds1

About (5-hydroxyazocan-1-yl)-phenylmethanone

(5-hydroxyazocan-1-yl)-phenylmethanone (PubChem CID 165346872) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5-hydroxyazocan-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-hydroxyazocan-1-yl)-phenylmethanone
PubChem CID165346872
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5-hydroxyazocan-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(O)CCC1
InChIInChI=1S/C14H19NO2/c16-13-8-4-10-15(11-5-9-13)14(17)12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2
InChIKeyGYVYTWZAKCUFDL-UHFFFAOYSA-N
XLogP2.06
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
[(3R)-3-hydroxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 51458046
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598
(3-hydroxypiperidin-1-yl)-(4-iodophenyl)methanone
CID 43390619
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-phenylmethanone
CID 15855718

Frequently Asked Questions

What is the IUPAC name of (5-hydroxyazocan-1-yl)-phenylmethanone?
The IUPAC name of (5-hydroxyazocan-1-yl)-phenylmethanone (CID 165346872) is (5-hydroxyazocan-1-yl)-phenylmethanone.
What is the SMILES notation for (5-hydroxyazocan-1-yl)-phenylmethanone?
The canonical SMILES for (5-hydroxyazocan-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCCC(O)CCC1.
What is the InChIKey of (5-hydroxyazocan-1-yl)-phenylmethanone?
The InChIKey is GYVYTWZAKCUFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c16-13-8-4-10-15(11-5-9-13)14(17)12-6-2-1-3-7-12/h1-3,6-7,13,16H,4-5,8-11H2.
What are the key properties of (5-hydroxyazocan-1-yl)-phenylmethanone?
(5-hydroxyazocan-1-yl)-phenylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxyazocan-1-yl)-phenylmethanone is sourced from PubChem (CID 165346872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).