2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone

C14H27N3O — CID 63595543

IUPAC2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(15)13-5-9-16(10-6-13)11-14(18)17-7-3-2-4-8-17/h12-13H,2-11,15H2,1H3
InChIKeyGRMBVBZJYVHZRW-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

About 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone

2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 63595543) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID63595543
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC(N)C1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(15)13-5-9-16(10-6-13)11-14(18)17-7-3-2-4-8-17/h12-13H,2-11,15H2,1H3
InChIKeyGRMBVBZJYVHZRW-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63847542
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3-amino-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502642
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
3-amino-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119844153

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 63595543) is 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is CC(N)C1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is GRMBVBZJYVHZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(15)13-5-9-16(10-6-13)11-14(18)17-7-3-2-4-8-17/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63595543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).