(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone

C14H25NO2 — CID 118084460

IUPAC(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)C2CC(O)C2)CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)11-4-6-15(7-5-11)13(17)10-8-12(16)9-10/h10-12,16H,4-9H2,1-3H3
InChIKeyQCURYYMYSGTHFA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds1

About (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone

(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone (PubChem CID 118084460) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone
PubChem CID118084460
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone
SMILESCC(C)(C)C1CCN(C(=O)C2CC(O)C2)CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)11-4-6-15(7-5-11)13(17)10-8-12(16)9-10/h10-12,16H,4-9H2,1-3H3
InChIKeyQCURYYMYSGTHFA-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 110021547
3,4,4-Trimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 112329031
2,2,4-Trimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 112329071
3,4-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 112329222
3-Ethyl-4-methyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 112329269
5,5-Dimethyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 112329314
[1-(2-Methoxyethyl)cyclobutyl]-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329367
(2,2-Dimethylcyclopropyl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112415740
1-(3-Hydroxypiperidin-1-yl)-4-methylpentan-1-one
CID 17918017
N,N-diethyl-cis-3-hydroxycyclobutane carboxamide
CID 57697391
1-(4-(Hydroxymethyl)piperidin-1-yl)-3,3-dimethylbutan-1-one
CID 58394519
4-Hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
CID 58959832

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The IUPAC name of (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone (CID 118084460) is (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone.
What is the SMILES notation for (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The canonical SMILES for (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone is CC(C)(C)C1CCN(C(=O)C2CC(O)C2)CC1.
What is the InChIKey of (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone?
The InChIKey is QCURYYMYSGTHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)11-4-6-15(7-5-11)13(17)10-8-12(16)9-10/h10-12,16H,4-9H2,1-3H3.
What are the key properties of (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone?
(4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperidin-1-yl)-(3-hydroxycyclobutyl)methanone is sourced from PubChem (CID 118084460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).