piperidine-3,4-diamine

C5H13N3 — CID 42628653

IUPACpiperidine-3,4-diamine
SMILESNC1CCNCC1N
InChIInChI=1S/C5H13N3/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,6-7H2
InChIKeyGICHJWFURSMJCR-UHFFFAOYSA-N
MW115.18 g/mol
LogP-1.37
Rot. Bonds

About piperidine-3,4-diamine

piperidine-3,4-diamine (PubChem CID 42628653) has the molecular formula C5H13N3 and a molecular weight of 115.18 g/mol. Its IUPAC name is piperidine-3,4-diamine.

Molecular Properties

Compound Namepiperidine-3,4-diamine
PubChem CID42628653
Molecular FormulaC5H13N3
Molecular Weight115.18 g/mol
Exact Mass115.11
IUPAC Namepiperidine-3,4-diamine
SMILESNC1CCNCC1N
InChIInChI=1S/C5H13N3/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,6-7H2
InChIKeyGICHJWFURSMJCR-UHFFFAOYSA-N
XLogP-1.37
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidine-3,4-diamine?
The IUPAC name of piperidine-3,4-diamine (CID 42628653) is piperidine-3,4-diamine.
What is the SMILES notation for piperidine-3,4-diamine?
The canonical SMILES for piperidine-3,4-diamine is NC1CCNCC1N.
What is the InChIKey of piperidine-3,4-diamine?
The InChIKey is GICHJWFURSMJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3/c6-4-1-2-8-3-5(4)7/h4-5,8H,1-3,6-7H2.
What are the key properties of piperidine-3,4-diamine?
piperidine-3,4-diamine has a molecular weight of 115.18 g/mol, XLogP of -1.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3,4-diamine is sourced from PubChem (CID 42628653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).