7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline

C15H24N2 — CID 57177279

IUPAC7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
SMILESCN1CCC(C2C=CC3CCCN=C3C2)CC1
InChIInChI=1S/C15H24N2/c1-17-9-6-12(7-10-17)14-5-4-13-3-2-8-16-15(13)11-14/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyDXUHLIHNTNFEJX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.76
Rot. Bonds1

About 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline

7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline (PubChem CID 57177279) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline.

Molecular Properties

Compound Name7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
PubChem CID57177279
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
SMILESCN1CCC(C2C=CC3CCCN=C3C2)CC1
InChIInChI=1S/C15H24N2/c1-17-9-6-12(7-10-17)14-5-4-13-3-2-8-16-15(13)11-14/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyDXUHLIHNTNFEJX-UHFFFAOYSA-N
XLogP2.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3,4,4a,5,6,7,10,10b-octahydro-1H-benzo[h]isoquinoline
CID 20394547
1,3,4,6,7,7a,8,9,11a,11b-Decahydrobenzo[a]quinolizin-2-imine
CID 90913614
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
CID 123984515
N-(4-ethyl-3,6-dimethylnon-7-en-2-yl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-imine
CID 124023897
[6-Ethyl-2-[1-(5-methylhexan-2-yl)piperidin-4-yl]cyclohex-3-en-1-ylidene]cyanamide
CID 141065261
3,8-Dimethyl-1,2,3,4,4a,6a,7,8,10a,10b-decahydrobenzo[f][1,7]naphthyridine
CID 141830728
5-Cyclohex-2-en-1-yl-6-cyclohex-3-en-1-yl-3-methyl-2,3,4,5-tetrahydropyridine
CID 142893781
3,5-Di(cyclohex-2-en-1-yl)-6-propan-2-yl-2,3,4,5-tetrahydropyridine
CID 156315985
4-Cyclohexa-1,3-dien-1-yl-6-cyclohexa-1,5-dien-1-yl-3-(1-methylpiperidin-4-yl)-4,5-dihydropyridazine
CID 163575310
N-methyl-4-[4-[4-(4-methylpiperidin-1-yl)butyl]-2,4a,5,8,9,9a-hexahydro-1H-benzo[7]annulen-7-yl]pent-4-en-2-imine
CID 170213848

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline?
The IUPAC name of 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline (CID 57177279) is 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline.
What is the SMILES notation for 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline?
The canonical SMILES for 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline is CN1CCC(C2C=CC3CCCN=C3C2)CC1.
What is the InChIKey of 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline?
The InChIKey is DXUHLIHNTNFEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-17-9-6-12(7-10-17)14-5-4-13-3-2-8-16-15(13)11-14/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline?
7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline has a molecular weight of 232.37 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline is sourced from PubChem (CID 57177279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).