N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline

C17H23N3 — CID 62656928

IUPACN-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCN1CCC(CNc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C17H23N3/c1-19-11-7-15(8-12-19)14-18-16-5-4-6-17(13-16)20-9-2-3-10-20/h2-6,9-10,13,15,18H,7-8,11-12,14H2,1H3
InChIKeyJPQKBJDQJUNUBQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.23
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline

N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline (PubChem CID 62656928) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
PubChem CID62656928
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
SMILESCN1CCC(CNc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C17H23N3/c1-19-11-7-15(8-12-19)14-18-16-5-4-6-17(13-16)20-9-2-3-10-20/h2-6,9-10,13,15,18H,7-8,11-12,14H2,1H3
InChIKeyJPQKBJDQJUNUBQ-UHFFFAOYSA-N
XLogP3.23
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
N-[(1-methylpiperidin-4-yl)methyl]-3-(tetrazol-1-yl)aniline
CID 62656159
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
2-methyl-N-[4-[(3-pyrrol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
CID 157423224
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
1-methyl-4-[[3-(sulfamoylamino)anilino]methyl]piperidine
CID 62657531
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432
N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 106637585
3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655457
N-methyl-N-[[3-[(1-methylpiperidin-4-yl)methylamino]phenyl]methyl]acetamide
CID 62659590
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654126
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline (CID 62656928) is N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline is CN1CCC(CNc2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline?
The InChIKey is JPQKBJDQJUNUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-19-11-7-15(8-12-19)14-18-16-5-4-6-17(13-16)20-9-2-3-10-20/h2-6,9-10,13,15,18H,7-8,11-12,14H2,1H3.
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline?
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline is sourced from PubChem (CID 62656928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).