4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene

C12H16N2 — CID 142032557

IUPAC4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
SMILESCN1CCC(C2=CC=NC=C=C2)CC1
InChIInChI=1S/C12H16N2/c1-14-9-5-12(6-10-14)11-3-2-7-13-8-4-11/h3-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyXUEFLTNPVXXTFO-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.01
Rot. Bonds1

About 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene

4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene (PubChem CID 142032557) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
PubChem CID142032557
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene
SMILESCN1CCC(C2=CC=NC=C=C2)CC1
InChIInChI=1S/C12H16N2/c1-14-9-5-12(6-10-14)11-3-2-7-13-8-4-11/h3-4,7-8,12H,5-6,9-10H2,1H3
InChIKeyXUEFLTNPVXXTFO-UHFFFAOYSA-N
XLogP2.01
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(3,4-dimethylpiperidin-1-yl)ethyl]penta-1,3-dienyl]methanimine
CID 123252528
5-(4-ethylpiperidin-1-yl)-3H-azepine
CID 123269294
N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
1-prop-1-en-2-yl-4-(2H-pyrrol-3-yl)piperidine
CID 130217430
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
methane;(2Z)-N-methyl-2-(1-methylpiperidin-4-yl)penta-2,4-dien-1-imine
CID 142886822
5-ethyl-7-(1-methylpiperidin-4-yl)-2H-azepine
CID 142941032
1-cyclohepta-1,3,6-trien-1-yl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]methanimine
CID 143029270
ethane;(2E)-N-methyl-2-(1-methyl-3-methylidenepiperidin-2-ylidene)ethanimine
CID 143610086
4-(1-Methylpiperidin-4-yl)-2,3-dihydropyridine
CID 146641297
ethane;N-methylethanimine;1-methyl-4-[(2Z,4Z)-3-methyl-6-methylideneocta-2,4,7-trien-4-yl]piperidine
CID 162360969
N-[(1Z,3E,5E)-6-piperidin-1-yl-4-propan-2-ylhexa-1,3,5-trienyl]methanimine
CID 170342404

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene (CID 142032557) is 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene is CN1CCC(C2=CC=NC=C=C2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene?
The InChIKey is XUEFLTNPVXXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-9-5-12(6-10-14)11-3-2-7-13-8-4-11/h3-4,7-8,12H,5-6,9-10H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene?
4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene has a molecular weight of 188.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-1-azacyclohepta-1,3,5,6-tetraene is sourced from PubChem (CID 142032557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).