(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene

C15H26N4 — CID 156711968

IUPAC(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene
SMILESC1=C\C=N\CCC(CN2CCNCC2)CCN/C=C/1
InChIInChI=1S/C15H26N4/c1-2-6-16-8-4-15(5-9-17-7-3-1)14-19-12-10-18-11-13-19/h1-3,6-7,15-16,18H,4-5,8-14H2/b3-1-,6-2+,17-7+
InChIKeyYRNGXFRIQRKACO-RCEGSQPSSA-N
MW262.40 g/mol
LogP1.03
Rot. Bonds2

About (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene

(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene (PubChem CID 156711968) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene.

Molecular Properties

Compound Name(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene
PubChem CID156711968
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene
SMILESC1=C\C=N\CCC(CN2CCNCC2)CCN/C=C/1
InChIInChI=1S/C15H26N4/c1-2-6-16-8-4-15(5-9-17-7-3-1)14-19-12-10-18-11-13-19/h1-3,6-7,15-16,18H,4-5,8-14H2/b3-1-,6-2+,17-7+
InChIKeyYRNGXFRIQRKACO-RCEGSQPSSA-N
XLogP1.03
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]piperidin-4-yl]-N-methylethanamine
CID 144047417
ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
CID 169104152
ethane;(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
CID 177321722
N-[2-(1,2-dihydropyridin-4-ylmethylideneamino)ethyl]-1-piperidin-4-ylmethanimine
CID 5232462
7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171069475
(Z)-3-[2-(4-methylpiperidin-1-yl)ethylimino]prop-1-en-1-amine
CID 177321723

Frequently Asked Questions

What is the IUPAC name of (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene?
The IUPAC name of (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene (CID 156711968) is (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene.
What is the SMILES notation for (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene?
The canonical SMILES for (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene is C1=C\C=N\CCC(CN2CCNCC2)CCN/C=C/1.
What is the InChIKey of (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene?
The InChIKey is YRNGXFRIQRKACO-RCEGSQPSSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-6-16-8-4-15(5-9-17-7-3-1)14-19-12-10-18-11-13-19/h1-3,6-7,15-16,18H,4-5,8-14H2/b3-1-,6-2+,17-7+.
What are the key properties of (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene?
(9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene has a molecular weight of 262.40 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11E)-4-(piperazin-1-ylmethyl)-1,7-diazacyclododeca-7,9,11-triene is sourced from PubChem (CID 156711968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).