6-piperidin-1-ylcyclohexa-2,4-dien-1-imine

C11H16N2 — CID 174840286

IUPAC6-piperidin-1-ylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1N1CCCCC1
InChIInChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,11-12H,1,4-5,8-9H2/b12-10+
InChIKeyMKGJTEMHZJQLBR-ZRDIBKRKSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds1

About 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine

6-piperidin-1-ylcyclohexa-2,4-dien-1-imine (PubChem CID 174840286) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-piperidin-1-ylcyclohexa-2,4-dien-1-imine
PubChem CID174840286
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name6-piperidin-1-ylcyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1N1CCCCC1
InChIInChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,11-12H,1,4-5,8-9H2/b12-10+
InChIKeyMKGJTEMHZJQLBR-ZRDIBKRKSA-N
XLogP1.99
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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2-Ethyl-1,3,4,4a-tetrahydropyrido[4,3-b]indole
CID 69207768
2-(4-Ethenyl-5-piperidin-1-ylcyclohexa-1,3-dien-1-yl)ethanimine
CID 89688402
5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
1-(4-iminocyclohex-2-en-1-yl)-N,N-dimethylpiperidin-4-amine
CID 123199265
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
5-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123715700
1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine
CID 123871350
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine (CID 174840286) is 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1N1CCCCC1.
What is the InChIKey of 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine?
The InChIKey is MKGJTEMHZJQLBR-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H16N2/c12-10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7,11-12H,1,4-5,8-9H2/b12-10+.
What are the key properties of 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine?
6-piperidin-1-ylcyclohexa-2,4-dien-1-imine has a molecular weight of 176.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-ylcyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 174840286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).