[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone

C17H25NO2 — CID 142340211

IUPAC[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
SMILESCC(C)(C)OCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-13-14-9-11-18(12-10-14)16(19)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyYMORWUAOIXPXAL-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.35
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone

[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone (PubChem CID 142340211) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
PubChem CID142340211
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
SMILESCC(C)(C)OCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-13-14-9-11-18(12-10-14)16(19)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyYMORWUAOIXPXAL-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2,2-dimethylpropanamide
CID 46378993
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
CID 168948503
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
CID 11021598
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
tert-butyl 4-phenacylpiperidine-1-carboxylate
CID 137373276
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone (CID 142340211) is [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone is CC(C)(C)OCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YMORWUAOIXPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)20-13-14-9-11-18(12-10-14)16(19)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone?
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 275.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 142340211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).