(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine

C9H17N3 — CID 144740222

IUPAC(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C(\N)C1CCNCC1
InChIInChI=1S/C9H17N3/c1-7(10)6-9(11)8-2-4-12-5-3-8/h6,8,12H,1-5,10-11H2/b9-6-
InChIKeyWSRAVWNORGAWFJ-TWGQIWQCSA-N
MW167.26 g/mol
LogP0.30
Rot. Bonds2

About (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine

(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine (PubChem CID 144740222) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine
PubChem CID144740222
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C(\N)C1CCNCC1
InChIInChI=1S/C9H17N3/c1-7(10)6-9(11)8-2-4-12-5-3-8/h6,8,12H,1-5,10-11H2/b9-6-
InChIKeyWSRAVWNORGAWFJ-TWGQIWQCSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine (CID 144740222) is (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine is C=C(N)/C=C(\N)C1CCNCC1.
What is the InChIKey of (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine?
The InChIKey is WSRAVWNORGAWFJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10)6-9(11)8-2-4-12-5-3-8/h6,8,12H,1-5,10-11H2/b9-6-.
What are the key properties of (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine?
(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 144740222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).