1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine

C19H28N4 — CID 50972529

IUPAC1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCn1cc(CNC2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C19H28N4/c1-4-23-14-17(13-21-23)12-20-18-8-10-22(11-9-18)19-7-5-6-15(2)16(19)3/h5-7,13-14,18,20H,4,8-12H2,1-3H3
InChIKeyRTPZKEXQWSDBEP-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine

1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 50972529) has the molecular formula C19H28N4 and a molecular weight of 312.46 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID50972529
Molecular FormulaC19H28N4
Molecular Weight312.46 g/mol
Exact Mass312.23
IUPAC Name1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCn1cc(CNC2CCN(c3cccc(C)c3C)CC2)cn1
InChIInChI=1S/C19H28N4/c1-4-23-14-17(13-21-23)12-20-18-8-10-22(11-9-18)19-7-5-6-15(2)16(19)3/h5-7,13-14,18,20H,4,8-12H2,1-3H3
InChIKeyRTPZKEXQWSDBEP-UHFFFAOYSA-N
XLogP3.28
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 50972529) is 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine is CCn1cc(CNC2CCN(c3cccc(C)c3C)CC2)cn1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is RTPZKEXQWSDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4/c1-4-23-14-17(13-21-23)12-20-18-8-10-22(11-9-18)19-7-5-6-15(2)16(19)3/h5-7,13-14,18,20H,4,8-12H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine?
1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 312.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 50972529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).