1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine

C13H25N3 — CID 154680895

IUPAC1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3/c1-11(14)13-4-8-16(9-5-13)10-12-2-6-15-7-3-12/h12-13,15H,1-10,14H2
InChIKeyKLZDCVFHGQIBAJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.17
Rot. Bonds3

About 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine

1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine (PubChem CID 154680895) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine.

Molecular Properties

Compound Name1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine
PubChem CID154680895
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine
SMILESC=C(N)C1CCN(CC2CCNCC2)CC1
InChIInChI=1S/C13H25N3/c1-11(14)13-4-8-16(9-5-13)10-12-2-6-15-7-3-12/h12-13,15H,1-10,14H2
InChIKeyKLZDCVFHGQIBAJ-UHFFFAOYSA-N
XLogP1.17
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine?
The IUPAC name of 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine (CID 154680895) is 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine.
What is the SMILES notation for 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine?
The canonical SMILES for 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine is C=C(N)C1CCN(CC2CCNCC2)CC1.
What is the InChIKey of 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine?
The InChIKey is KLZDCVFHGQIBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(14)13-4-8-16(9-5-13)10-12-2-6-15-7-3-12/h12-13,15H,1-10,14H2.
What are the key properties of 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine?
1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine has a molecular weight of 223.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(piperidin-4-ylmethyl)piperidin-4-yl]ethenamine is sourced from PubChem (CID 154680895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).