(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

C14H26N2O — CID 114084054

IUPAC(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFXHHCNVNNHRIGW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone

(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 114084054) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID114084054
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1NCCCC1(C)C
InChIInChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyFXHHCNVNNHRIGW-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone (CID 114084054) is (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)C1NCCCC1(C)C.
What is the InChIKey of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is FXHHCNVNNHRIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-11-7-5-10-16(11)13(17)12-14(2,3)8-6-9-15-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone?
(3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 114084054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).