2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol

C18H25N3O — CID 56780672

IUPAC2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H25N3O/c1-15-11-19-21(12-15)13-16-7-9-20(10-8-16)14-18(22)17-5-3-2-4-6-17/h2-6,11-12,16,18,22H,7-10,13-14H2,1H3
InChIKeyDKYUDZXNHJHSRH-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.64
Rot. Bonds5

About 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol

2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol (PubChem CID 56780672) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
PubChem CID56780672
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1cnn(CC2CCN(CC(O)c3ccccc3)CC2)c1
InChIInChI=1S/C18H25N3O/c1-15-11-19-21(12-15)13-16-7-9-20(10-8-16)14-18(22)17-5-3-2-4-6-17/h2-6,11-12,16,18,22H,7-10,13-14H2,1H3
InChIKeyDKYUDZXNHJHSRH-UHFFFAOYSA-N
XLogP2.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol (CID 56780672) is 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol is Cc1cnn(CC2CCN(CC(O)c3ccccc3)CC2)c1.
What is the InChIKey of 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is DKYUDZXNHJHSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15-11-19-21(12-15)13-16-7-9-20(10-8-16)14-18(22)17-5-3-2-4-6-17/h2-6,11-12,16,18,22H,7-10,13-14H2,1H3.
What are the key properties of 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol?
2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 299.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 56780672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).