[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone

C16H30N2O4 — CID 78834727

IUPAC[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)OCC(O)CN1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H30N2O4/c1-13(2)22-12-15(19)11-17-5-3-4-14(10-17)16(20)18-6-8-21-9-7-18/h13-15,19H,3-12H2,1-2H3
InChIKeyQJENFFCGZOMFJX-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.34
Rot. Bonds6

About [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 78834727) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID78834727
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)OCC(O)CN1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C16H30N2O4/c1-13(2)22-12-15(19)11-17-5-3-4-14(10-17)16(20)18-6-8-21-9-7-18/h13-15,19H,3-12H2,1-2H3
InChIKeyQJENFFCGZOMFJX-UHFFFAOYSA-N
XLogP0.34
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxylate
CID 79038191
1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 60699960
[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
CID 55506636
[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-(azepan-1-ylmethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110932791
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
3-[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]propanoic acid
CID 63988655
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
1-(4-methylpiperidin-1-yl)-2-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 134051301
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 78834727) is [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)OCC(O)CN1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QJENFFCGZOMFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-13(2)22-12-15(19)11-17-5-3-4-14(10-17)16(20)18-6-8-21-9-7-18/h13-15,19H,3-12H2,1-2H3.
What are the key properties of [1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 314.43 g/mol, XLogP of 0.34, 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-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78834727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).