N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine

C14H25N3 — CID 57301776

IUPACN,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C14H25N3/c1-14(8-4-9-15-14)17-11-6-13(7-12-17)5-10-16(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3
InChIKeyFHEXAGCLKFVFFH-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.01
Rot. Bonds4

About N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine

N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 57301776) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
PubChem CID57301776
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCN(C)CCC1CCN(C2(C)C=CC=N2)CC1
InChIInChI=1S/C14H25N3/c1-14(8-4-9-15-14)17-11-6-13(7-12-17)5-10-16(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3
InChIKeyFHEXAGCLKFVFFH-UHFFFAOYSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine (CID 57301776) is N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine is CN(C)CCC1CCN(C2(C)C=CC=N2)CC1.
What is the InChIKey of N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is FHEXAGCLKFVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-14(8-4-9-15-14)17-11-6-13(7-12-17)5-10-16(2)3/h4,8-9,13H,5-7,10-12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine?
N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 235.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 57301776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).