[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H30N2O4 — CID 55506480

IUPAC[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O4/c1-16-4-6-19(7-5-16)26-15-18(23)14-21-8-2-3-17(13-21)20(24)22-9-11-25-12-10-22/h4-7,17-18,23H,2-3,8-15H2,1H3
InChIKeyOBNYLWPZWPCFPN-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.31
Rot. Bonds6

About [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55506480) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55506480
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C20H30N2O4/c1-16-4-6-19(7-5-16)26-15-18(23)14-21-8-2-3-17(13-21)20(24)22-9-11-25-12-10-22/h4-7,17-18,23H,2-3,8-15H2,1H3
InChIKeyOBNYLWPZWPCFPN-UHFFFAOYSA-N
XLogP1.31
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
CID 55506636
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
1-[2-hydroxy-3-(4-methylphenoxy)propyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 87013245
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
ethane;1-(4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 144771734
1-(4-methylphenoxy)-3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-2-ol
CID 111114259
1-(4-methylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3145443
[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506560
[1-(2-hydroxy-2-phenylethyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 110883057
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
2-(4-methylphenoxy)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000136
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856

Frequently Asked Questions

What is the IUPAC name of [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55506480) is [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OBNYLWPZWPCFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-16-4-6-19(7-5-16)26-15-18(23)14-21-8-2-3-17(13-21)20(24)22-9-11-25-12-10-22/h4-7,17-18,23H,2-3,8-15H2,1H3.
What are the key properties of [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 362.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55506480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).