1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone

C13H25N3O — CID 122080228

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
SMILESCC(N)C1CCCCN1C(=O)CNCC1CC1
InChIInChI=1S/C13H25N3O/c1-10(14)12-4-2-3-7-16(12)13(17)9-15-8-11-5-6-11/h10-12,15H,2-9,14H2,1H3
InChIKeyGSXSGCKDLYJNPI-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds5

About 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone

1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone (PubChem CID 122080228) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
PubChem CID122080228
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
SMILESCC(N)C1CCCCN1C(=O)CNCC1CC1
InChIInChI=1S/C13H25N3O/c1-10(14)12-4-2-3-7-16(12)13(17)9-15-8-11-5-6-11/h10-12,15H,2-9,14H2,1H3
InChIKeyGSXSGCKDLYJNPI-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 119437270
N-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide
CID 119435923
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129371121
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[2-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119434682
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methylpropylsulfonyl)propan-1-one
CID 119435506
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119259949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone (CID 122080228) is 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone is CC(N)C1CCCCN1C(=O)CNCC1CC1.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone?
The InChIKey is GSXSGCKDLYJNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(14)12-4-2-3-7-16(12)13(17)9-15-8-11-5-6-11/h10-12,15H,2-9,14H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone?
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone has a molecular weight of 239.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone is sourced from PubChem (CID 122080228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).