(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C14H26N2O2 — CID 114084354

IUPAC(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2NCCCC2(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-6-14(18)9-16(10-14)12(17)11-13(2,3)7-5-8-15-11/h11,15,18H,4-10H2,1-3H3
InChIKeyJUUXDSKZTOGMET-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.14
Rot. Bonds3

About (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 114084354) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID114084354
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)C2NCCCC2(C)C)C1
InChIInChI=1S/C14H26N2O2/c1-4-6-14(18)9-16(10-14)12(17)11-13(2,3)7-5-8-15-11/h11,15,18H,4-10H2,1-3H3
InChIKeyJUUXDSKZTOGMET-UHFFFAOYSA-N
XLogP1.14
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxy-3-propylazetidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 107219771
(3,3-dimethylpiperidin-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114084330
(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114084054
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
(3-hydroxy-3-propylazetidin-1-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 107219851
(3,3-dimethylpiperidin-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 114083990
(3,3-dimethylpiperidin-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 114084147
(1-aminocyclobutyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219940
(3-ethyl-3-hydroxyazetidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 107219512
(3-hydroxy-3-propylazetidin-1-yl)-(2-methylthiolan-2-yl)methanone
CID 81450881
2-(3-hydroxy-3-propylazetidine-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 107214585
(3-ethyl-3-hydroxyazetidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 107219702

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 114084354) is (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)C2NCCCC2(C)C)C1.
What is the InChIKey of (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is JUUXDSKZTOGMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-6-14(18)9-16(10-14)12(17)11-13(2,3)7-5-8-15-11/h11,15,18H,4-10H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-2-yl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 114084354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).