5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole

C19H28N2 — CID 144855112

IUPAC5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
SMILESC=C(CCC)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1
InChIInChI=1S/C19H28N2/c1-4-5-15(3)21-10-8-16(9-11-21)18-13-20-19-7-6-14(2)12-17(18)19/h7,12-14,16,20H,3-6,8-11H2,1-2H3
InChIKeyRLTPTRXEFLNDKF-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.11
Rot. Bonds4

About 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole

5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole (PubChem CID 144855112) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
PubChem CID144855112
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole
SMILESC=C(CCC)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1
InChIInChI=1S/C19H28N2/c1-4-5-15(3)21-10-8-16(9-11-21)18-13-20-19-7-6-14(2)12-17(18)19/h7,12-14,16,20H,3-6,8-11H2,1-2H3
InChIKeyRLTPTRXEFLNDKF-UHFFFAOYSA-N
XLogP3.11
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.11
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
[2-Ethyl-6-(2-fluoro-1,2-dihydropyridin-5-yl)-1-methyl-2,3,6,7-tetrahydroindol-3-yl]methanamine
CID 134581918
N-(cyclohexylmethyl)-2-(3-fluoro-5,6,7,7a-tetrahydro-1H-indol-6-yl)-N-methylethanamine
CID 141139585
3-[1-(3-Cyclopropylprop-1-en-2-yl)piperidin-4-yl]-6-fluoro-3a-methyl-1,4-dihydroindole
CID 144855128
1-[5-[[(5E)-1-[2-[1-(2-ethyl-2-fluorobutyl)piperidin-4-yl]ethyl]-2-methyl-4-methylidene-5-prop-2-enylidenepyrrol-3-yl]methyl]cyclohepta-1,3,6-trien-1-yl]-N-methylmethanamine
CID 144880012
6-(1,1-Difluoroethyl)-6-methyl-3-(1-prop-1-en-2-ylpiperidin-4-yl)-1,5-dihydroindole
CID 146409781
(E)-[(2E)-5-methyl-2-[(Z)-3-(1-methylpiperidin-4-yl)prop-2-enylidene]-1-(2,2,2-trifluoroethyl)pyrrol-3-ylidene]methanamine
CID 156712281
N-[2-(5-fluoro-3a-methyl-1,4-dihydroindol-3-yl)ethyl]-N-methylbut-3-en-2-amine
CID 167204719
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
(2Z)-2-ethylidene-5-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-3-methyl-1H-pyridine
CID 166080082
N,N-dimethyl-2-[5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3a,7a-dihydro-1H-indol-3-yl]ethanamine
CID 18335842

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The IUPAC name of 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole (CID 144855112) is 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole.
What is the SMILES notation for 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The canonical SMILES for 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole is C=C(CCC)N1CCC(c2c[nH]c3c2=CC(C)CC=3)CC1.
What is the InChIKey of 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
The InChIKey is RLTPTRXEFLNDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-4-5-15(3)21-10-8-16(9-11-21)18-13-20-19-7-6-14(2)12-17(18)19/h7,12-14,16,20H,3-6,8-11H2,1-2H3.
What are the key properties of 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole?
5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole has a molecular weight of 284.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-pent-1-en-2-ylpiperidin-4-yl)-5,6-dihydro-1H-indole is sourced from PubChem (CID 144855112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).