[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol

C17H24N4O — CID 75473179

IUPAC[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCn1nccc1CNc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C17H24N4O/c1-20-15(6-9-19-20)12-18-16-4-2-3-5-17(16)21-10-7-14(13-22)8-11-21/h2-6,9,14,18,22H,7-8,10-13H2,1H3
InChIKeyQQVCLERJOMSQLE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.24
Rot. Bonds5

About [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol

[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol (PubChem CID 75473179) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
PubChem CID75473179
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCn1nccc1CNc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C17H24N4O/c1-20-15(6-9-19-20)12-18-16-4-2-3-5-17(16)21-10-7-14(13-22)8-11-21/h2-6,9,14,18,22H,7-8,10-13H2,1H3
InChIKeyQQVCLERJOMSQLE-UHFFFAOYSA-N
XLogP2.24
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol (CID 75473179) is [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol is Cn1nccc1CNc1ccccc1N1CCC(CO)CC1.
What is the InChIKey of [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol?
The InChIKey is QQVCLERJOMSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-15(6-9-19-20)12-18-16-4-2-3-5-17(16)21-10-7-14(13-22)8-11-21/h2-6,9,14,18,22H,7-8,10-13H2,1H3.
What are the key properties of [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol?
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol has a molecular weight of 300.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 75473179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).