[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone

C14H26N2O — CID 80598636

IUPAC[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-13(4-2)7-9-16(10-8-13)12(17)14(11-15)5-6-14/h3-11,15H2,1-2H3
InChIKeyMPUWVSBKXJJKCT-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.15
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone

[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone (PubChem CID 80598636) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
PubChem CID80598636
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
SMILESCCC1(CC)CCN(C(=O)C2(CN)CC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-13(4-2)7-9-16(10-8-13)12(17)14(11-15)5-6-14/h3-11,15H2,1-2H3
InChIKeyMPUWVSBKXJJKCT-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone (CID 80598636) is [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone is CCC1(CC)CCN(C(=O)C2(CN)CC2)CC1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone?
The InChIKey is MPUWVSBKXJJKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-13(4-2)7-9-16(10-8-13)12(17)14(11-15)5-6-14/h3-11,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone?
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone is sourced from PubChem (CID 80598636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).