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

C10H16N2 — CID 58108227

IUPAC1-methyl-4-(3H-pyrrol-2-yl)piperidine
SMILESCN1CCC(C2=NC=CC2)CC1
InChIInChI=1S/C10H16N2/c1-12-7-4-9(5-8-12)10-3-2-6-11-10/h2,6,9H,3-5,7-8H2,1H3
InChIKeyBIUUUVZYWMQPBO-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.69
Rot. Bonds1

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

1-methyl-4-(3H-pyrrol-2-yl)piperidine (PubChem CID 58108227) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-methyl-4-(3H-pyrrol-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(3H-pyrrol-2-yl)piperidine
PubChem CID58108227
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-methyl-4-(3H-pyrrol-2-yl)piperidine
SMILESCN1CCC(C2=NC=CC2)CC1
InChIInChI=1S/C10H16N2/c1-12-7-4-9(5-8-12)10-3-2-6-11-10/h2,6,9H,3-5,7-8H2,1H3
InChIKeyBIUUUVZYWMQPBO-UHFFFAOYSA-N
XLogP1.69
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aS,7aR)-2-(3-ethyl-2-methyl-3,4-dihydropyridin-5-yl)-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridine
CID 57177100
4-(2-methylpropyl)-1-(3H-pyrrol-2-ylmethyl)piperidine
CID 59176366
N-ethenyl-3-(1-methylidenepiperidin-1-ium-4-yl)but-3-en-2-imine
CID 123789135
1-[1-(3-ethyl-3,4-dihydro-2H-pyrrol-5-yl)ethenyl]-4-methylpiperazine
CID 129029109
2-propan-2-yl-N,N-dipropyl-3,4-dihydropyridin-3-amine
CID 139538966
ethane;N-ethenyl-1-piperidin-3-ylprop-2-en-1-imine
CID 141923227
N-[(E)-2-bromoprop-1-enyl]-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 143003989
4-[3-(4-Butylpiperidin-1-yl)propyl]-3,4-dihydropyridine
CID 151401255
(Z)-2-[1-(1-methylpiperidin-4-yl)prop-2-enylideneamino]prop-1-en-1-amine
CID 156048292
2-(1-tert-butyl-5,5-dimethylpyrrolidin-3-yl)-3H-pyrrole
CID 169933041
4-methyl-1-[1-(3H-pyrrol-2-yl)ethenyl]piperidine
CID 170203953
N-ethenyl-1-(1-methylpiperidin-3-yl)prop-2-en-1-imine
CID 172350879

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3H-pyrrol-2-yl)piperidine?
The IUPAC name of 1-methyl-4-(3H-pyrrol-2-yl)piperidine (CID 58108227) is 1-methyl-4-(3H-pyrrol-2-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(3H-pyrrol-2-yl)piperidine?
The canonical SMILES for 1-methyl-4-(3H-pyrrol-2-yl)piperidine is CN1CCC(C2=NC=CC2)CC1.
What is the InChIKey of 1-methyl-4-(3H-pyrrol-2-yl)piperidine?
The InChIKey is BIUUUVZYWMQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-12-7-4-9(5-8-12)10-3-2-6-11-10/h2,6,9H,3-5,7-8H2,1H3.
What are the key properties of 1-methyl-4-(3H-pyrrol-2-yl)piperidine?
1-methyl-4-(3H-pyrrol-2-yl)piperidine has a molecular weight of 164.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3H-pyrrol-2-yl)piperidine is sourced from PubChem (CID 58108227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).