N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine

C16H22N4 — CID 175267234

IUPACN-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(Cn2cccn2)cc1NC1CCNCC1
InChIInChI=1S/C16H22N4/c1-13-3-4-14(12-20-10-2-7-18-20)11-16(13)19-15-5-8-17-9-6-15/h2-4,7,10-11,15,17,19H,5-6,8-9,12H2,1H3
InChIKeyVIHZWCLBOIZYGM-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.40
Rot. Bonds4

About N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine

N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine (PubChem CID 175267234) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine
PubChem CID175267234
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine
SMILESCc1ccc(Cn2cccn2)cc1NC1CCNCC1
InChIInChI=1S/C16H22N4/c1-13-3-4-14(12-20-10-2-7-18-20)11-16(13)19-15-5-8-17-9-6-15/h2-4,7,10-11,15,17,19H,5-6,8-9,12H2,1H3
InChIKeyVIHZWCLBOIZYGM-UHFFFAOYSA-N
XLogP2.40
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine (CID 175267234) is N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine is Cc1ccc(Cn2cccn2)cc1NC1CCNCC1.
What is the InChIKey of N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine?
The InChIKey is VIHZWCLBOIZYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-3-4-14(12-20-10-2-7-18-20)11-16(13)19-15-5-8-17-9-6-15/h2-4,7,10-11,15,17,19H,5-6,8-9,12H2,1H3.
What are the key properties of N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine?
N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine is sourced from PubChem (CID 175267234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).