1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine

C14H24N2 — CID 90937325

IUPAC1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
SMILESCCCC1(C2CCN(C)CC2)C=C(C)C=N1
InChIInChI=1S/C14H24N2/c1-4-7-14(10-12(2)11-15-14)13-5-8-16(3)9-6-13/h10-11,13H,4-9H2,1-3H3
InChIKeyZWBKEGQIWGNQHU-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.90
Rot. Bonds3

About 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine

1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine (PubChem CID 90937325) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine.

Molecular Properties

Compound Name1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
PubChem CID90937325
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine
SMILESCCCC1(C2CCN(C)CC2)C=C(C)C=N1
InChIInChI=1S/C14H24N2/c1-4-7-14(10-12(2)11-15-14)13-5-8-16(3)9-6-13/h10-11,13H,4-9H2,1-3H3
InChIKeyZWBKEGQIWGNQHU-UHFFFAOYSA-N
XLogP2.90
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-4-(1-methylpiperidin-4-yl)but-2-en-1-imine
CID 123885206
5-(1-Methylpiperidin-4-yl)-2-propan-2-yl-2,3-dihydropyridine
CID 134364993
3,5-dimethyl-3-(1-methylpiperidin-4-yl)-2H-pyridine
CID 134433362
(2Z,5E)-N,2-dimethyl-6-(1-methylpiperidin-4-yl)hexa-2,5-dien-1-imine
CID 142325543
ethane;(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
CID 142878225
(2Z)-N-methyl-2-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]penta-2,4-dien-1-imine
CID 144494837
5-[(3-Methylpiperidin-1-yl)methyl]-2,3-dihydropyridine
CID 145106243
4-(1-Methylpiperidin-4-yl)-2,3-dihydropyridine
CID 146641297
5-(2-Ethyl-1-methylpyrrolidin-2-yl)-2,3-dihydropyridine
CID 169909271
1-methyl-3,3a,4,5,9,10-hexahydro-2H-pyrrolo[2,3-e]isoquinoline
CID 175735163
(Z)-N-methyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
CID 142878226
(Z)-N-ethyl-2-(1-methylpiperidin-2-yl)but-2-en-1-imine
CID 143862262

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine?
The IUPAC name of 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine (CID 90937325) is 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine.
What is the SMILES notation for 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine?
The canonical SMILES for 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine is CCCC1(C2CCN(C)CC2)C=C(C)C=N1.
What is the InChIKey of 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine?
The InChIKey is ZWBKEGQIWGNQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-14(10-12(2)11-15-14)13-5-8-16(3)9-6-13/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine?
1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine has a molecular weight of 220.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methyl-2-propylpyrrol-2-yl)piperidine is sourced from PubChem (CID 90937325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).