N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

C21H31FN4 — CID 42094253

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCc1c(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C21H31FN4/c1-17-20(14-23-25(17)3)16-24(2)15-19-8-11-26(12-9-19)10-7-18-5-4-6-21(22)13-18/h4-6,13-14,19H,7-12,15-16H2,1-3H3
InChIKeyUMAAVMPTRDBWBO-UHFFFAOYSA-N
MW358.50 g/mol
LogP3.25
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 42094253) has the molecular formula C21H31FN4 and a molecular weight of 358.50 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID42094253
Molecular FormulaC21H31FN4
Molecular Weight358.50 g/mol
Exact Mass358.25
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCc1c(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cnn1C
InChIInChI=1S/C21H31FN4/c1-17-20(14-23-25(17)3)16-24(2)15-19-8-11-26(12-9-19)10-7-18-5-4-6-21(22)13-18/h4-6,13-14,19H,7-12,15-16H2,1-3H3
InChIKeyUMAAVMPTRDBWBO-UHFFFAOYSA-N
XLogP3.25
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
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-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 42094253) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is Cc1c(CN(C)CC2CCN(CCc3cccc(F)c3)CC2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is UMAAVMPTRDBWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4/c1-17-20(14-23-25(17)3)16-24(2)15-19-8-11-26(12-9-19)10-7-18-5-4-6-21(22)13-18/h4-6,13-14,19H,7-12,15-16H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 358.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 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-[1-[2-(3-fluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 42094253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).