1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole

C18H26N2 — CID 166857876

IUPAC1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole
SMILESC=C1CN(C2CCN(CC3CC3)CC2)C2=CC=CCC12
InChIInChI=1S/C18H26N2/c1-14-12-20(18-5-3-2-4-17(14)18)16-8-10-19(11-9-16)13-15-6-7-15/h2-3,5,15-17H,1,4,6-13H2
InChIKeyPKAITDWMXQXLCH-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.19
Rot. Bonds3

About 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole

1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole (PubChem CID 166857876) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole
PubChem CID166857876
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole
SMILESC=C1CN(C2CCN(CC3CC3)CC2)C2=CC=CCC12
InChIInChI=1S/C18H26N2/c1-14-12-20(18-5-3-2-4-17(14)18)16-8-10-19(11-9-16)13-15-6-7-15/h2-3,5,15-17H,1,4,6-13H2
InChIKeyPKAITDWMXQXLCH-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6-fluoro-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N,N-dimethyl-4-[(2E,4Z,6E)-6-(4-methylpiperazin-1-yl)octa-2,4,6-trien-3-yl]pyrrolidin-3-amine
CID 166885654
6,9,13,17-Tetramethyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-2,4,8,11,15-pentaene
CID 23463443
1-(1-Methylpiperidin-4-yl)-2,3,3a,7a-tetrahydroindol-6-amine
CID 68164799
1-Piperidin-4-yl-2,3,3a,7a-tetrahydroindol-6-amine
CID 68375345
1-Methyl-5-(3-propan-2-yl-3-azabicyclo[3.1.0]hexan-1-yl)-3a,7a-dihydroindole
CID 71043258
5-(3-Ethyl-3-azabicyclo[3.1.0]hexan-1-yl)-1-methyl-3a,7a-dihydroindole
CID 71043259
4,6,6a,7-Tetrahydropyrido[2,1-a]isoindole
CID 88898424
3-methylidene-2-[(1-prop-2-enylpiperidin-4-yl)methyl]-5,6-dihydro-1H-isoindole
CID 132058787
2-(Cyclopropylmethyl)-3-methylidene-1,4,4a,5-tetrahydroisoquinoline
CID 134474722
3-(cyclohexa-1,5-dien-1-ylmethyl)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine;molecular hydrogen
CID 143073261
1-[(3S)-3-[(2E)-2-(3-methylbut-2-enylidene)pyrrolidin-1-yl]-3-(5-methylcyclohexa-1,5-dien-1-yl)propyl]piperidine
CID 143120426
4-[(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrrolidin-1-yl]-1-methylpiperidine
CID 145480799

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole?
The IUPAC name of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole (CID 166857876) is 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole?
The canonical SMILES for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole is C=C1CN(C2CCN(CC3CC3)CC2)C2=CC=CCC12.
What is the InChIKey of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole?
The InChIKey is PKAITDWMXQXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-14-12-20(18-5-3-2-4-17(14)18)16-8-10-19(11-9-16)13-15-6-7-15/h2-3,5,15-17H,1,4,6-13H2.
What are the key properties of 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole?
1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole has a molecular weight of 270.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)piperidin-4-yl]-3-methylidene-3a,4-dihydro-2H-indole is sourced from PubChem (CID 166857876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).