2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline

C16H21N3 — CID 66408273

IUPAC2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESc1ccc(N2CCCCC2)c(NCc2cc[nH]c2)c1
InChIInChI=1S/C16H21N3/c1-4-10-19(11-5-1)16-7-3-2-6-15(16)18-13-14-8-9-17-12-14/h2-3,6-9,12,17-18H,1,4-5,10-11,13H2
InChIKeyOMOAJXCCZOPTFO-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.62
Rot. Bonds4

About 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline

2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline (PubChem CID 66408273) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
PubChem CID66408273
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
SMILESc1ccc(N2CCCCC2)c(NCc2cc[nH]c2)c1
InChIInChI=1S/C16H21N3/c1-4-10-19(11-5-1)16-7-3-2-6-15(16)18-13-14-8-9-17-12-14/h2-3,6-9,12,17-18H,1,4-5,10-11,13H2
InChIKeyOMOAJXCCZOPTFO-UHFFFAOYSA-N
XLogP3.62
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(3-methylthiophen-2-yl)methyl]-2-piperidin-1-ylaniline
CID 30052168

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline?
The IUPAC name of 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline (CID 66408273) is 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline.
What is the SMILES notation for 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline?
The canonical SMILES for 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline is c1ccc(N2CCCCC2)c(NCc2cc[nH]c2)c1.
What is the InChIKey of 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline?
The InChIKey is OMOAJXCCZOPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-10-19(11-5-1)16-7-3-2-6-15(16)18-13-14-8-9-17-12-14/h2-3,6-9,12,17-18H,1,4-5,10-11,13H2.
What are the key properties of 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline?
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline is sourced from PubChem (CID 66408273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).