(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine

C15H24N4 — CID 177344077

IUPAC(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine
SMILESC=C(/C=C(\N)c1cnn(C2CCNCC2)c1)CCC
InChIInChI=1S/C15H24N4/c1-3-4-12(2)9-15(16)13-10-18-19(11-13)14-5-7-17-8-6-14/h9-11,14,17H,2-8,16H2,1H3/b15-9-
InChIKeyREOBTMCGJHHYOJ-DHDCSXOGSA-N
MW260.38 g/mol
LogP2.46
Rot. Bonds5

About (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine

(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine (PubChem CID 177344077) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine
PubChem CID177344077
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine
SMILESC=C(/C=C(\N)c1cnn(C2CCNCC2)c1)CCC
InChIInChI=1S/C15H24N4/c1-3-4-12(2)9-15(16)13-10-18-19(11-13)14-5-7-17-8-6-14/h9-11,14,17H,2-8,16H2,1H3/b15-9-
InChIKeyREOBTMCGJHHYOJ-DHDCSXOGSA-N
XLogP2.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine?
The IUPAC name of (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine (CID 177344077) is (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine.
What is the SMILES notation for (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine?
The canonical SMILES for (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine is C=C(/C=C(\N)c1cnn(C2CCNCC2)c1)CCC.
What is the InChIKey of (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine?
The InChIKey is REOBTMCGJHHYOJ-DHDCSXOGSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-4-12(2)9-15(16)13-10-18-19(11-13)14-5-7-17-8-6-14/h9-11,14,17H,2-8,16H2,1H3/b15-9-.
What are the key properties of (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine?
(Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylidene-1-(1-piperidin-4-ylpyrazol-4-yl)hex-1-en-1-amine is sourced from PubChem (CID 177344077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).