N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline

C16H22N4 — CID 28647376

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
SMILESCn1cc(CNc2ccccc2N2CCCCC2)cn1
InChIInChI=1S/C16H22N4/c1-19-13-14(12-18-19)11-17-15-7-3-4-8-16(15)20-9-5-2-6-10-20/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyPNOXLHNWLSRBMS-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline

N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline (PubChem CID 28647376) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
PubChem CID28647376
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
SMILESCn1cc(CNc2ccccc2N2CCCCC2)cn1
InChIInChI=1S/C16H22N4/c1-19-13-14(12-18-19)11-17-15-7-3-4-8-16(15)20-9-5-2-6-10-20/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3
InChIKeyPNOXLHNWLSRBMS-UHFFFAOYSA-N
XLogP3.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 66117239
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2-cyclopentylsulfanyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43737702

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline (CID 28647376) is N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline is Cn1cc(CNc2ccccc2N2CCCCC2)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
The InChIKey is PNOXLHNWLSRBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-13-14(12-18-19)11-17-15-7-3-4-8-16(15)20-9-5-2-6-10-20/h3-4,7-8,12-13,17H,2,5-6,9-11H2,1H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline?
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 28647376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).