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

C14H27N3O — CID 114239065

IUPAC1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(CCN)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(18)16-10-5-14(6-11-16)17-8-3-13(2-7-15)4-9-17/h13-14H,2-11,15H2,1H3
InChIKeyNCOKBEDFJYSKIP-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds3

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

1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 114239065) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID114239065
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCC(CCN)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-12(18)16-10-5-14(6-11-16)17-8-3-13(2-7-15)4-9-17/h13-14H,2-11,15H2,1H3
InChIKeyNCOKBEDFJYSKIP-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 114239065) is 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCC(CCN)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is NCOKBEDFJYSKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(18)16-10-5-14(6-11-16)17-8-3-13(2-7-15)4-9-17/h13-14H,2-11,15H2,1H3.
What are the key properties of 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone 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 1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 114239065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).