(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H23NO2 — CID 127916022

IUPAC(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)11-4-8-14(9-5-11)12(15)13(16)6-3-7-13/h10-11,16H,3-9H2,1-2H3
InChIKeyVQUBQKQQUBIITQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.80
Rot. Bonds2

About (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 127916022) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID127916022
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(O)CCC2)CC1
InChIInChI=1S/C13H23NO2/c1-10(2)11-4-8-14(9-5-11)12(15)13(16)6-3-7-13/h10-11,16H,3-9H2,1-2H3
InChIKeyVQUBQKQQUBIITQ-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-hydroxycyclopropyl)-[(3R)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176625352
(1-hydroxycyclobutyl)-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]methanone
CID 136532653
(2-methylpyrrolidin-2-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103822274
1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 12791779
(2,2-dichloro-1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470189
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
N'-hydroxy-1-(4-propan-2-ylazepane-1-carbonyl)cyclopentane-1-carboximidamide
CID 77024798
(3,3-difluoro-1-methylcyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155470006
2-cyclohexyl-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 155469719
[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 111112247
(1-hydroxycyclobutyl)-morpholin-4-ylmethanone
CID 130279279
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 106837028

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 127916022) is (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(O)CCC2)CC1.
What is the InChIKey of (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is VQUBQKQQUBIITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)11-4-8-14(9-5-11)12(15)13(16)6-3-7-13/h10-11,16H,3-9H2,1-2H3.
What are the key properties of (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 225.33 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclobutyl)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 127916022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).