2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

C16H29N3 — CID 114515132

IUPAC2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2CCN(C)CC2)c(C)n1C
InChIInChI=1S/C16H29N3/c1-13-11-16(14(2)19(13)4)12-17-8-5-15-6-9-18(3)10-7-15/h11,15,17H,5-10,12H2,1-4H3
InChIKeyCBQWZNAXRBSTHY-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.46
Rot. Bonds5

About 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine

2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 114515132) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
PubChem CID114515132
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
SMILESCc1cc(CNCCC2CCN(C)CC2)c(C)n1C
InChIInChI=1S/C16H29N3/c1-13-11-16(14(2)19(13)4)12-17-8-5-15-6-9-18(3)10-7-15/h11,15,17H,5-10,12H2,1-4H3
InChIKeyCBQWZNAXRBSTHY-UHFFFAOYSA-N
XLogP2.46
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62474770
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115697446
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615001
4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
2-(azepan-1-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62475138
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]butan-1-amine
CID 50850663
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62474594
N-[[2-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]octan-1-amine
CID 113337043
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine (CID 114515132) is 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is Cc1cc(CNCCC2CCN(C)CC2)c(C)n1C.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is CBQWZNAXRBSTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13-11-16(14(2)19(13)4)12-17-8-5-15-6-9-18(3)10-7-15/h11,15,17H,5-10,12H2,1-4H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine?
2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 114515132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).