N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine

C13H23N3 — CID 116825058

IUPACN,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(C)CC(c1cc[nH]c1)C1CCNCC1
InChIInChI=1S/C13H23N3/c1-16(2)10-13(12-5-8-15-9-12)11-3-6-14-7-4-11/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3
InChIKeyCEYFXYBFEBTYNC-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.66
Rot. Bonds4

About N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine

N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine (PubChem CID 116825058) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
PubChem CID116825058
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine
SMILESCN(C)CC(c1cc[nH]c1)C1CCNCC1
InChIInChI=1S/C13H23N3/c1-16(2)10-13(12-5-8-15-9-12)11-3-6-14-7-4-11/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3
InChIKeyCEYFXYBFEBTYNC-UHFFFAOYSA-N
XLogP1.66
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[piperidin-4-yl(1H-pyrrol-3-yl)methyl]piperazine
CID 82303054
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
2-(oxan-4-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 83637307
N,N-dimethyl-2-piperidin-4-ylbutan-1-amine
CID 19965474
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
2-pyrrolidin-3-yl-1-(1H-pyrrol-3-yl)ethanamine
CID 116936135
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
3-[dimethylamino(1H-pyrrol-3-yl)methyl]cyclobutan-1-amine
CID 116907314
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
2-[4-[dimethylamino(1H-pyrrol-3-yl)methyl]piperidin-1-yl]ethanamine
CID 116907376
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
2-(3,4-dimethoxyphenyl)-2-piperidin-4-ylethanol
CID 116825142

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine (CID 116825058) is N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine is CN(C)CC(c1cc[nH]c1)C1CCNCC1.
What is the InChIKey of N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine?
The InChIKey is CEYFXYBFEBTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-16(2)10-13(12-5-8-15-9-12)11-3-6-14-7-4-11/h5,8-9,11,13-15H,3-4,6-7,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine?
N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperidin-4-yl-2-(1H-pyrrol-3-yl)ethanamine is sourced from PubChem (CID 116825058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).