N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

C19H27FN4 — CID 75515471

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESCc1c(CNC2CCN(CCc3ccc(F)cc3)CC2)cnn1C
InChIInChI=1S/C19H27FN4/c1-15-17(14-22-23(15)2)13-21-19-8-11-24(12-9-19)10-7-16-3-5-18(20)6-4-16/h3-6,14,19,21H,7-13H2,1-2H3
InChIKeyQKGNPTPIIZFLRU-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.66
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (PubChem CID 75515471) has the molecular formula C19H27FN4 and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
PubChem CID75515471
Molecular FormulaC19H27FN4
Molecular Weight330.45 g/mol
Exact Mass330.22
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine
SMILESCc1c(CNC2CCN(CCc3ccc(F)cc3)CC2)cnn1C
InChIInChI=1S/C19H27FN4/c1-15-17(14-22-23(15)2)13-21-19-8-11-24(12-9-19)10-7-16-3-5-18(20)6-4-16/h3-6,14,19,21H,7-13H2,1-2H3
InChIKeyQKGNPTPIIZFLRU-UHFFFAOYSA-N
XLogP2.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine (CID 75515471) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is Cc1c(CNC2CCN(CCc3ccc(F)cc3)CC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
The InChIKey is QKGNPTPIIZFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4/c1-15-17(14-22-23(15)2)13-21-19-8-11-24(12-9-19)10-7-16-3-5-18(20)6-4-16/h3-6,14,19,21H,7-13H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine has a molecular weight of 330.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[2-(4-fluorophenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 75515471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).