1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol

C16H30N4O — CID 114679359

IUPAC1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol
SMILESCc1nn(C)c(N2CCC(O)C(C)C2)c1CNC(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11-10-20(8-7-14(11)21)15-13(9-17-16(3,4)5)12(2)18-19(15)6/h11,14,17,21H,7-10H2,1-6H3
InChIKeyBKUHLIJKCGTXEF-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.82
Rot. Bonds3

About 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol

1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol (PubChem CID 114679359) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol
PubChem CID114679359
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol
SMILESCc1nn(C)c(N2CCC(O)C(C)C2)c1CNC(C)(C)C
InChIInChI=1S/C16H30N4O/c1-11-10-20(8-7-14(11)21)15-13(9-17-16(3,4)5)12(2)18-19(15)6/h11,14,17,21H,7-10H2,1-6H3
InChIKeyBKUHLIJKCGTXEF-UHFFFAOYSA-N
XLogP1.82
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol (CID 114679359) is 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol is Cc1nn(C)c(N2CCC(O)C(C)C2)c1CNC(C)(C)C.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol?
The InChIKey is BKUHLIJKCGTXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-11-10-20(8-7-14(11)21)15-13(9-17-16(3,4)5)12(2)18-19(15)6/h11,14,17,21H,7-10H2,1-6H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol?
1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol has a molecular weight of 294.44 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).