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

C9H17N3 — CID 144740220

IUPAC(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C(\N)C1CCCNC1
InChIInChI=1S/C9H17N3/c1-7(10)5-9(11)8-3-2-4-12-6-8/h5,8,12H,1-4,6,10-11H2/b9-5-
InChIKeyIIYGQPDEBMQRAF-UITAMQMPSA-N
MW167.26 g/mol
LogP0.30
Rot. Bonds2

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

(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine (PubChem CID 144740220) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine
PubChem CID144740220
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine
SMILESC=C(N)/C=C(\N)C1CCCNC1
InChIInChI=1S/C9H17N3/c1-7(10)5-9(11)8-3-2-4-12-6-8/h5,8,12H,1-4,6,10-11H2/b9-5-
InChIKeyIIYGQPDEBMQRAF-UITAMQMPSA-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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Related Compounds

(1Z)-1-piperidin-4-ylbuta-1,3-diene-1,3-diamine
CID 144740222
ethene;piperidine-3-carboxamide
CID 91354072
2-piperidin-3-ylprop-2-enoic acid
CID 117266899
di(piperidin-3-yl)methanone
CID 69183047
3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]piperidine
CID 145351858
cyclobutyl-[(3R)-piperidin-3-yl]methanone
CID 124604189
3-(1-cyclohexylethenyl)pyrrolidine
CID 89257061
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
2-cyclopropylethyl (3R)-piperidine-3-carboxylate
CID 106202694
ethane;piperidine-3-carbohydrazide
CID 143869941
1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 7183153
3-[(3Z,5Z)-3,5-dimethylhepta-1,3,5-trien-4-yl]piperidine
CID 143693591

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine (CID 144740220) is (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine is C=C(N)/C=C(\N)C1CCCNC1.
What is the InChIKey of (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine?
The InChIKey is IIYGQPDEBMQRAF-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10)5-9(11)8-3-2-4-12-6-8/h5,8,12H,1-4,6,10-11H2/b9-5-.
What are the key properties of (1Z)-1-piperidin-3-ylbuta-1,3-diene-1,3-diamine?
(1Z)-1-piperidin-3-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-3-ylbuta-1,3-diene-1,3-diamine is sourced from PubChem (CID 144740220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).