[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone

C19H27NO3 — CID 110436785

IUPAC[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C19H27NO3/c1-23-17-9-3-2-8-16(17)19(11-6-12-19)18(22)20-13-5-4-7-15(20)10-14-21/h2-3,8-9,15,21H,4-7,10-14H2,1H3
InChIKeyXRTFSRFAKOSYHQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.88
Rot. Bonds5

About [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone

[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone (PubChem CID 110436785) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
PubChem CID110436785
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone
SMILESCOc1ccccc1C1(C(=O)N2CCCCC2CCO)CCC1
InChIInChI=1S/C19H27NO3/c1-23-17-9-3-2-8-16(17)19(11-6-12-19)18(22)20-13-5-4-7-15(20)10-14-21/h2-3,8-9,15,21H,4-7,10-14H2,1H3
InChIKeyXRTFSRFAKOSYHQ-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
[1-(4-chlorophenyl)cyclopropyl]-[2-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 11695010
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
2-(3,4-dimethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 110436653

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone?
The IUPAC name of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone (CID 110436785) is [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone.
What is the SMILES notation for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone?
The canonical SMILES for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone is COc1ccccc1C1(C(=O)N2CCCCC2CCO)CCC1.
What is the InChIKey of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone?
The InChIKey is XRTFSRFAKOSYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-23-17-9-3-2-8-16(17)19(11-6-12-19)18(22)20-13-5-4-7-15(20)10-14-21/h2-3,8-9,15,21H,4-7,10-14H2,1H3.
What are the key properties of [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone?
[2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone has a molecular weight of 317.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)cyclobutyl]methanone is sourced from PubChem (CID 110436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).