2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine

C11H20N2 — CID 131096591

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine
SMILESCC1CCCNC1CN1CC=CC1
InChIInChI=1S/C11H20N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-3,10-12H,4-9H2,1H3
InChIKeyDNXSFEWFHQUQGY-UHFFFAOYSA-N
MW180.30 g/mol
LogP1.25
Rot. Bonds2

About 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine

2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine (PubChem CID 131096591) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine
PubChem CID131096591
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine
SMILESCC1CCCNC1CN1CC=CC1
InChIInChI=1S/C11H20N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-3,10-12H,4-9H2,1H3
InChIKeyDNXSFEWFHQUQGY-UHFFFAOYSA-N
XLogP1.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methylpyrrolidin-2-yl)methyl]-2,5-dihydropyrrole
CID 126996409
3-[(3-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 130964437
3-[(3-methylpiperidin-2-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 107069314
2,6-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]piperidine
CID 107068977
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292
N,N-dimethyl-1-[1-[(3-methylpiperidin-2-yl)methyl]piperidin-4-yl]methanamine
CID 107069105
4-[(3-methylpiperidin-2-yl)methyl]-1,4-thiazepane 1,1-dioxide
CID 114083506
2,2-dimethyl-4-[(3-methylpiperidin-2-yl)methyl]morpholine
CID 107069025
3,4-dimethyl-1-[(3-methylpiperidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 103500242
(3-methylpiperidin-2-yl)methanol
CID 19898861
2-ethyl-4-[(3-methylpiperidin-2-yl)methyl]thiomorpholine
CID 107069481
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine (CID 131096591) is 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine is CC1CCCNC1CN1CC=CC1.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine?
The InChIKey is DNXSFEWFHQUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10-5-4-6-12-11(10)9-13-7-2-3-8-13/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine?
2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine has a molecular weight of 180.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)-3-methylpiperidine is sourced from PubChem (CID 131096591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).