1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine

C14H24N2 — CID 100793985

IUPAC1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
SMILESCCn1c(C)cc(CN2CCCCC2)c1C
InChIInChI=1S/C14H24N2/c1-4-16-12(2)10-14(13(16)3)11-15-8-6-5-7-9-15/h10H,4-9,11H2,1-3H3
InChIKeyDQHZGMQQHNDFOY-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.11
Rot. Bonds3

About 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine

1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine (PubChem CID 100793985) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
PubChem CID100793985
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
SMILESCCn1c(C)cc(CN2CCCCC2)c1C
InChIInChI=1S/C14H24N2/c1-4-16-12(2)10-14(13(16)3)11-15-8-6-5-7-9-15/h10H,4-9,11H2,1-3H3
InChIKeyDQHZGMQQHNDFOY-UHFFFAOYSA-N
XLogP3.11
TPSA8.17 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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79604935
1-ethyl-5-methyl-2-(pyrrolidin-1-ylmethyl)imidazole
CID 117188506
1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
CID 82492295
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylpiperazin-1-amine
CID 83009210
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 131703772
ethane;1-ethyl-2,3,5-trimethylpyrrole
CID 162748917
1-[(3-methylazulen-1-yl)methyl]piperidine
CID 101178026
1-[(3,4,5-trimethylphenyl)methyl]piperidine
CID 91162015
2-amino-3-methyl-4,6-bis(piperidin-1-ylmethyl)phenol
CID 15687088
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methylpentan-3-amine
CID 79605085

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine?
The IUPAC name of 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine (CID 100793985) is 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine is CCn1c(C)cc(CN2CCCCC2)c1C.
What is the InChIKey of 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine?
The InChIKey is DQHZGMQQHNDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-16-12(2)10-14(13(16)3)11-15-8-6-5-7-9-15/h10H,4-9,11H2,1-3H3.
What are the key properties of 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine?
1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine has a molecular weight of 220.36 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 100793985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).