(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C14H26N2O2 — CID 102780497

IUPAC(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(C)C2CO)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-3-14(6-4-7-15-10-14)13(18)16-8-5-11(2)12(16)9-17/h11-12,15,17H,3-10H2,1-2H3
InChIKeyJTHNZNRTWHJNRL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds3

About (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780497) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780497
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCCC1(C(=O)N2CCC(C)C2CO)CCCNC1
InChIInChI=1S/C14H26N2O2/c1-3-14(6-4-7-15-10-14)13(18)16-8-5-11(2)12(16)9-17/h11-12,15,17H,3-10H2,1-2H3
InChIKeyJTHNZNRTWHJNRL-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethylpiperidine-3-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780244
1-(3-ethylpiperidine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106742943
[1-(aminomethyl)cyclopropyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778470
(3-ethylpiperidin-3-yl)-(2-propylpiperidin-1-yl)methanone
CID 83052876
(3-ethylpiperidin-3-yl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102883218
azocan-1-yl-(3-ethylpiperidin-3-yl)methanone
CID 55179345
1-(3-ethylpiperidine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 63131944
(2,5-dimethylmorpholin-4-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63130536
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 102780745
(3-ethylpiperidin-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 63135150
(4-cyclopentylpiperazin-1-yl)-(3-ethylpiperidin-3-yl)methanone
CID 63133034
(3-ethylpyrrolidin-3-yl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 63141995

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780497) is (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CCC1(C(=O)N2CCC(C)C2CO)CCCNC1.
What is the InChIKey of (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is JTHNZNRTWHJNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-14(6-4-7-15-10-14)13(18)16-8-5-11(2)12(16)9-17/h11-12,15,17H,3-10H2,1-2H3.
What are the key properties of (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-3-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).