(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

C16H23NO3 — CID 81103143

IUPAC(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-14-6-4-5-13(11-14)15(18)17-9-7-16(3,19)8-10-17/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyVPAXZTUGWCFQLL-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.46
Rot. Bonds3

About (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone

(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (PubChem CID 81103143) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
PubChem CID81103143
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCC(C)(O)CC2)c1
InChIInChI=1S/C16H23NO3/c1-12(2)20-14-6-4-5-13(11-14)15(18)17-9-7-16(3,19)8-10-17/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyVPAXZTUGWCFQLL-UHFFFAOYSA-N
XLogP2.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(3-propan-2-yloxyphenyl)methanone
CID 6458312
(4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 8779088
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 131691578
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
[4-(chloromethyl)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 63397763
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
[3-(difluoromethoxy)phenyl]-[(4S)-4-methoxy-4-methylazepan-1-yl]methanone
CID 124889245
1,1-dimethyl-3-[6-(3-propan-2-yloxybenzoyl)-6-azaspiro[3.4]octan-2-yl]urea
CID 155873855
[3-(aminomethyl)pyrrolidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62918972

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone (CID 81103143) is (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is CC(C)Oc1cccc(C(=O)N2CCC(C)(O)CC2)c1.
What is the InChIKey of (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
The InChIKey is VPAXZTUGWCFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(2)20-14-6-4-5-13(11-14)15(18)17-9-7-16(3,19)8-10-17/h4-6,11-12,19H,7-10H2,1-3H3.
What are the key properties of (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone?
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 81103143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).