N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline

C18H25N3 — CID 66400281

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
SMILESCCn1ccc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-8-4-5-9-18(17)21-11-6-3-7-12-21/h4-5,8-10,13,15,19H,2-3,6-7,11-12,14H2,1H3
InChIKeyBFWHNOAPKPCBTG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds5

About N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline

N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline (PubChem CID 66400281) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
PubChem CID66400281
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
SMILESCCn1ccc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-8-4-5-9-18(17)21-11-6-3-7-12-21/h4-5,8-10,13,15,19H,2-3,6-7,11-12,14H2,1H3
InChIKeyBFWHNOAPKPCBTG-UHFFFAOYSA-N
XLogP4.11
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
CID 66414741
N-[(1-ethylpyrrol-3-yl)methyl]-2-iodoaniline
CID 66398837
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
N-[(1-ethylpyrrol-3-yl)methyl]-2-ethylsulfonylaniline
CID 66416123
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
5-[(1-ethylpyrrol-3-yl)methylamino]naphthalen-1-ol
CID 66416710
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168
2-[(2-piperidin-1-ylanilino)methyl]thiophen-3-amine
CID 66385103

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline (CID 66400281) is N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline is CCn1ccc(CNc2ccccc2N2CCCCC2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline?
The InChIKey is BFWHNOAPKPCBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-8-4-5-9-18(17)21-11-6-3-7-12-21/h4-5,8-10,13,15,19H,2-3,6-7,11-12,14H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline?
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline has a molecular weight of 283.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 66400281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).