2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide

C14H29N3O — CID 82736942

IUPAC2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
SMILESCCC1CCCN(CC(=O)N(CC)CC)C1CN
InChIInChI=1S/C14H29N3O/c1-4-12-8-7-9-17(13(12)10-15)11-14(18)16(5-2)6-3/h12-13H,4-11,15H2,1-3H3
InChIKeyZFHPEFZFCGXGPQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.30
Rot. Bonds6

About 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide (PubChem CID 82736942) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
PubChem CID82736942
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide
SMILESCCC1CCCN(CC(=O)N(CC)CC)C1CN
InChIInChI=1S/C14H29N3O/c1-4-12-8-7-9-17(13(12)10-15)11-14(18)16(5-2)6-3/h12-13H,4-11,15H2,1-3H3
InChIKeyZFHPEFZFCGXGPQ-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-pentan-2-ylacetamide
CID 82737150
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
N,N-diethyl-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62733674
(1-decyl-3-ethylpiperidin-2-yl)methanamine
CID 82736476
N,N-diethyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546901
4-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-methylbutanamide
CID 82736832
[3-ethyl-1-(2-pyrrolidin-1-ylethyl)piperidin-2-yl]methanamine
CID 107912600
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
N,N-diethyl-2-[(2S)-2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95261573

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide (CID 82736942) is 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide is CCC1CCCN(CC(=O)N(CC)CC)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is ZFHPEFZFCGXGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-12-8-7-9-17(13(12)10-15)11-14(18)16(5-2)6-3/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide?
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 255.41 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 82736942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).