N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline

C18H25N3 — CID 66414741

IUPACN-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
SMILESCCn1ccc(CNc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-6-8-18(9-7-17)21-11-4-3-5-12-21/h6-10,13,15,19H,2-5,11-12,14H2,1H3
InChIKeyIDXQHOWJXRNOLX-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.11
Rot. Bonds5

About N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline

N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline (PubChem CID 66414741) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
PubChem CID66414741
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline
SMILESCCn1ccc(CNc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-6-8-18(9-7-17)21-11-4-3-5-12-21/h6-10,13,15,19H,2-5,11-12,14H2,1H3
InChIKeyIDXQHOWJXRNOLX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1-ethylpyrrol-3-yl)methylamino]phenyl]pyrrolidin-2-one
CID 66398416
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-[(3-methylphenyl)methyl]-4-piperidin-1-ylaniline
CID 39380681
4-piperidin-1-yl-N-(thiophen-3-ylmethyl)aniline
CID 43715642
N-[(3,5-dichlorophenyl)methyl]-4-pyrrolidin-1-ylaniline
CID 60790170
N-[(1-ethylpyrrol-3-yl)methyl]-4-propoxyaniline
CID 66413824
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
N-benzyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721983

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline?
The IUPAC name of N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline (CID 66414741) is N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline.
What is the SMILES notation for N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline?
The canonical SMILES for N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline is CCn1ccc(CNc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline?
The InChIKey is IDXQHOWJXRNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-20-13-10-16(15-20)14-19-17-6-8-18(9-7-17)21-11-4-3-5-12-21/h6-10,13,15,19H,2-5,11-12,14H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-3-yl)methyl]-4-piperidin-1-ylaniline?
N-[(1-ethylpyrrol-3-yl)methyl]-4-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]-4-piperidin-1-ylaniline is sourced from PubChem (CID 66414741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).