N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine

C14H25N3 — CID 115211459

IUPACN-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccc[nH]1)CCC1CCCNC1
InChIInChI=1S/C14H25N3/c1-17(11-7-14-5-3-9-16-14)10-6-13-4-2-8-15-12-13/h3,5,9,13,15-16H,2,4,6-8,10-12H2,1H3
InChIKeyHAQHBBVRKBZWDM-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine

N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine (PubChem CID 115211459) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
PubChem CID115211459
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
SMILESCN(CCc1ccc[nH]1)CCC1CCCNC1
InChIInChI=1S/C14H25N3/c1-17(11-7-14-5-3-9-16-14)10-6-13-4-2-8-15-12-13/h3,5,9,13,15-16H,2,4,6-8,10-12H2,1H3
InChIKeyHAQHBBVRKBZWDM-UHFFFAOYSA-N
XLogP1.88
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211456
2-cyclobutyl-N-methyl-N-(2-piperidin-3-ylethyl)ethanamine
CID 115211477
2-cyclobutyl-N-methyl-N-(2-pyrrolidin-3-ylethyl)ethanamine
CID 115210939
N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
CID 115209574
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213747
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401
N-methyl-N-[(2-methylcyclopropyl)methyl]-2-piperidin-3-ylethanamine
CID 63865515
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine
CID 71638020
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The IUPAC name of N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine (CID 115211459) is N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine.
What is the SMILES notation for N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The canonical SMILES for N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine is CN(CCc1ccc[nH]1)CCC1CCCNC1.
What is the InChIKey of N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
The InChIKey is HAQHBBVRKBZWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-17(11-7-14-5-3-9-16-14)10-6-13-4-2-8-15-12-13/h3,5,9,13,15-16H,2,4,6-8,10-12H2,1H3.
What are the key properties of N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine?
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine has a molecular weight of 235.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 115211459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).