(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone

C17H25NO3 — CID 110878335

IUPAC(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C17H25NO3/c1-2-3-4-12-21-16-9-7-14(8-10-16)17(20)18-11-5-6-15(19)13-18/h7-10,15,19H,2-6,11-13H2,1H3
InChIKeyUUQOWJDMCRUWMI-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.85
Rot. Bonds6

About (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone

(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone (PubChem CID 110878335) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
PubChem CID110878335
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
SMILESCCCCCOc1ccc(C(=O)N2CCCC(O)C2)cc1
InChIInChI=1S/C17H25NO3/c1-2-3-4-12-21-16-9-7-14(8-10-16)17(20)18-11-5-6-15(19)13-18/h7-10,15,19H,2-6,11-13H2,1H3
InChIKeyUUQOWJDMCRUWMI-UHFFFAOYSA-N
XLogP2.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(methylamino)piperidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119492407
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 119593799
(3-bromopyrrolidin-1-yl)-(4-butoxyphenyl)methanone
CID 80677906
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-pentoxyphenyl)methanone
CID 11875760
(4-butoxyphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63395660
[(3R)-3-hydroxypiperidin-1-yl]-[4-[4-[methyl-[2-(4-methylphenoxy)ethyl]amino]piperidin-1-yl]phenyl]methanone
CID 26342515
[4-(4-butoxybenzoyl)-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110809316

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone (CID 110878335) is (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone is CCCCCOc1ccc(C(=O)N2CCCC(O)C2)cc1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone?
The InChIKey is UUQOWJDMCRUWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-3-4-12-21-16-9-7-14(8-10-16)17(20)18-11-5-6-15(19)13-18/h7-10,15,19H,2-6,11-13H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone?
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone is sourced from PubChem (CID 110878335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).