1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol

C14H24ClN3O — CID 102959533

IUPAC1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCc1nn(CC)c(CN2CCC(C)C(O)C2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-4-11-14(15)12(18(5-2)16-11)8-17-7-6-10(3)13(19)9-17/h10,13,19H,4-9H2,1-3H3
InChIKeyGADBPVWVDSHKEH-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.32
Rot. Bonds4

About 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol

1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 102959533) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID102959533
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCc1nn(CC)c(CN2CCC(C)C(O)C2)c1Cl
InChIInChI=1S/C14H24ClN3O/c1-4-11-14(15)12(18(5-2)16-11)8-17-7-6-10(3)13(19)9-17/h10,13,19H,4-9H2,1-3H3
InChIKeyGADBPVWVDSHKEH-UHFFFAOYSA-N
XLogP2.32
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol (CID 102959533) is 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol is CCc1nn(CC)c(CN2CCC(C)C(O)C2)c1Cl.
What is the InChIKey of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is GADBPVWVDSHKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-11-14(15)12(18(5-2)16-11)8-17-7-6-10(3)13(19)9-17/h10,13,19H,4-9H2,1-3H3.
What are the key properties of 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol?
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 285.82 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).