4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine

C12H18N2 — CID 170203953

IUPAC4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
SMILESC=C(C1=NC=CC1)N1CCC(C)CC1
InChIInChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3
InChIKeyZIIMSTQBDPPZCZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine

4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine (PubChem CID 170203953) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
PubChem CID170203953
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
SMILESC=C(C1=NC=CC1)N1CCC(C)CC1
InChIInChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3
InChIKeyZIIMSTQBDPPZCZ-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(3H-pyrrol-2-yl)piperidine
CID 58108227
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
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CID 123789135
4-[C-ethenyl-N-[(Z)-prop-1-enyl]carbonimidoyl]-1-ethylpiperidine-4-carbonitrile
CID 124143145
1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
CID 129029109
1-piperidin-4-yl-N-[(E)-prop-1-enyl]prop-2-en-1-imine
CID 141203200
N-[(1Z)-buta-1,3-dienyl]-1-(1-methylpiperidin-4-yl)prop-2-en-1-imine;methanol
CID 142003257
N-[(E)-2-bromoprop-1-enyl]-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 143003989
ethane;(1Z)-3-(4-methylpiperidin-1-ium-1-ylidene)penta-1,4-dien-1-amine
CID 143046166
CID 145805234
CID 145805234
(Z)-2-[1-(1-methylpiperidin-4-yl)prop-2-enylideneamino]prop-1-en-1-amine
CID 156048292
(2E)-N-ethenyl-1-methyl-6-methylidene-2-(4-methylpent-1-en-3-ylidene)piperidin-3-imine
CID 170246048

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The IUPAC name of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine (CID 170203953) is 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine is C=C(C1=NC=CC1)N1CCC(C)CC1.
What is the InChIKey of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
The InChIKey is ZIIMSTQBDPPZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-5-8-14(9-6-10)11(2)12-4-3-7-13-12/h3,7,10H,2,4-6,8-9H2,1H3.
What are the key properties of 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine?
4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine has a molecular weight of 190.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine is sourced from PubChem (CID 170203953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).