3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

C14H22FN3 — CID 163343444

IUPAC3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESFCC1CCCN(Cc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C14H22FN3/c15-8-11-4-3-7-18(9-11)10-14-12-5-1-2-6-13(12)16-17-14/h11H,1-10H2,(H,16,17)
InChIKeyNJQPAWBNQUIOKQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.47
Rot. Bonds3

About 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 163343444) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID163343444
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESFCC1CCCN(Cc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C14H22FN3/c15-8-11-4-3-7-18(9-11)10-14-12-5-1-2-6-13(12)16-17-14/h11H,1-10H2,(H,16,17)
InChIKeyNJQPAWBNQUIOKQ-UHFFFAOYSA-N
XLogP2.47
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole (CID 163343444) is 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is FCC1CCCN(Cc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is NJQPAWBNQUIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c15-8-11-4-3-7-18(9-11)10-14-12-5-1-2-6-13(12)16-17-14/h11H,1-10H2,(H,16,17).
What are the key properties of 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole?
3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 251.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(fluoromethyl)piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 163343444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).