3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole

C19H26N2 — CID 144855105

IUPAC3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole
SMILESC=C(C1CC1)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1
InChIInChI=1S/C19H26N2/c1-13-3-6-19-17(11-13)18(12-20-19)16-7-9-21(10-8-16)14(2)15-4-5-15/h6,11-13,15-16,20H,2-5,7-10H2,1H3
InChIKeyCOIIVKUTCNCKIY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds3

About 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole

3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole (PubChem CID 144855105) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole
PubChem CID144855105
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole
SMILESC=C(C1CC1)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1
InChIInChI=1S/C19H26N2/c1-13-3-6-19-17(11-13)18(12-20-19)16-7-9-21(10-8-16)14(2)15-4-5-15/h6,11-13,15-16,20H,2-5,7-10H2,1H3
InChIKeyCOIIVKUTCNCKIY-UHFFFAOYSA-N
XLogP2.72
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-3-(1-propan-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
CID 123995432
3-[1-(3-Cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
CID 144855128
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
6-Fluoro-6-methyl-3-(1-propylpiperidin-4-yl)-1,5-dihydroindole
CID 144855194
1-(2-fluoro-2-methylpropyl)-4-[(1Z)-4-methyl-1-(2-methylidene-1H-pyrrol-3-ylidene)pent-2-enyl]piperidine
CID 144859661
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
CID 18335842
2,3,4,9,9a,9b-hexahydro-1H-indeno[1,2-c]pyridin-8-amine
CID 69711008
4,6-Dimethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523282
4-Ethyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523576
4-Methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70523638
4-Ethyl-6-methyl-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,9(16),12-tetraene
CID 70524426
(4aR,9aR)-6-methylidene-5-[(Z)-prop-1-enyl]-1-propyl-3,4,4a,7,9,9a-hexahydro-2H-pyrrolo[3,4-g]quinoline
CID 71016240

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole?
The IUPAC name of 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole (CID 144855105) is 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole.
What is the SMILES notation for 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole?
The canonical SMILES for 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole is C=C(C1CC1)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1.
What is the InChIKey of 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole?
The InChIKey is COIIVKUTCNCKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-3-6-19-17(11-13)18(12-20-19)16-7-9-21(10-8-16)14(2)15-4-5-15/h6,11-13,15-16,20H,2-5,7-10H2,1H3.
What are the key properties of 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole?
3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole has a molecular weight of 282.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylethenyl)piperidin-4-yl]-5-methyl-5,6-dihydro-1H-indole is sourced from PubChem (CID 144855105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).