(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile

C15H21N3 — CID 90349886

IUPAC(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile
SMILESCC1/C=C\C=C(C#N)/C(N2CCC(N)CC2)=C\C1
InChIInChI=1S/C15H21N3/c1-12-3-2-4-13(11-16)15(6-5-12)18-9-7-14(17)8-10-18/h2-4,6,12,14H,5,7-10,17H2,1H3/b3-2-,13-4-,15-6+
InChIKeyOXNSKHHXVDELOY-PICGRZIESA-N
MW243.35 g/mol
LogP2.34
Rot. Bonds1

About (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile

(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile (PubChem CID 90349886) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile.

Molecular Properties

Compound Name(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile
PubChem CID90349886
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile
SMILESCC1/C=C\C=C(C#N)/C(N2CCC(N)CC2)=C\C1
InChIInChI=1S/C15H21N3/c1-12-3-2-4-13(11-16)15(6-5-12)18-9-7-14(17)8-10-18/h2-4,6,12,14H,5,7-10,17H2,1H3/b3-2-,13-4-,15-6+
InChIKeyOXNSKHHXVDELOY-PICGRZIESA-N
XLogP2.34
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-yl]piperidin-4-amine
CID 87152342
N-[(5Z)-6-(aminomethyl)-3-methyl-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]-1-methylpiperidin-4-amine
CID 88905238
4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 89085509
3-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 89085516
(2E,4E)-5-amino-4-[(3Z,4E)-4-(aminomethylidene)-5-(piperidin-4-ylamino)-3-prop-2-enylidenecyclohexa-1,5-dien-1-yl]-2-ethenylpenta-2,4-dienenitrile
CID 89085519
4-[(3-Methylcyclohexa-1,5-dien-1-yl)amino]piperidine-4-carbonitrile
CID 89862889
1-ethyl-3-(2-ethylidene-3,6-dimethylocta-4,6-dienylidene)-N-methyl-2-methylidenepiperidin-4-amine
CID 123788588
(2E,3Z)-2-ethylidene-5-[1-[(3E)-3-methylpenta-1,3-dien-2-yl]piperidin-4-yl]hexa-3,5-dienenitrile
CID 130216637
5-methyl-N-[1-(1-methylpiperidin-4-yl)ethenyl]cyclohexa-2,4-dien-1-amine
CID 134297758
N-(1-cyclohexa-1,3-dien-1-ylethenyl)-1-methylpiperidin-4-amine
CID 141910186
2-(4-Amino-3-methylpiperidin-1-yl)cyclohexa-1,3-diene-1-carbonitrile;ethane
CID 142349842
(2Z)-3-(4-aminopiperidin-1-yl)-2-ethenylpenta-2,4-dienenitrile
CID 142349875

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile?
The IUPAC name of (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile (CID 90349886) is (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile.
What is the SMILES notation for (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile?
The canonical SMILES for (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile is CC1/C=C\C=C(C#N)/C(N2CCC(N)CC2)=C\C1.
What is the InChIKey of (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile?
The InChIKey is OXNSKHHXVDELOY-PICGRZIESA-N. The full InChI is InChI=1S/C15H21N3/c1-12-3-2-4-13(11-16)15(6-5-12)18-9-7-14(17)8-10-18/h2-4,6,12,14H,5,7-10,17H2,1H3/b3-2-,13-4-,15-6+.
What are the key properties of (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile?
(1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,7Z)-8-(4-aminopiperidin-1-yl)-5-methylcycloocta-1,3,7-triene-1-carbonitrile is sourced from PubChem (CID 90349886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).