1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol

C17H24N4O — CID 91650833

IUPAC1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
SMILESCCn1nccc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C17H24N4O/c1-2-21-14(7-10-19-21)13-18-16-5-3-4-6-17(16)20-11-8-15(22)9-12-20/h3-7,10,15,18,22H,2,8-9,11-13H2,1H3
InChIKeySVDBCHKFQGEQTH-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.48
Rot. Bonds5

About 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol

1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol (PubChem CID 91650833) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
PubChem CID91650833
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol
SMILESCCn1nccc1CNc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C17H24N4O/c1-2-21-14(7-10-19-21)13-18-16-5-3-4-6-17(16)20-11-8-15(22)9-12-20/h3-7,10,15,18,22H,2,8-9,11-13H2,1H3
InChIKeySVDBCHKFQGEQTH-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol (CID 91650833) is 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol is CCn1nccc1CNc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is SVDBCHKFQGEQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-21-14(7-10-19-21)13-18-16-5-3-4-6-17(16)20-11-8-15(22)9-12-20/h3-7,10,15,18,22H,2,8-9,11-13H2,1H3.
What are the key properties of 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 300.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethylpyrazol-3-yl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 91650833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).