1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

C19H36N4O — CID 109481930

IUPAC1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC(O)CN1CCC(C)CC1
InChIInChI=1S/C19H36N4O/c1-14-7-9-22(10-8-14)13-17(24)11-20-12-18-15(2)21-23(16(18)3)19(4,5)6/h14,17,20,24H,7-13H2,1-6H3
InChIKeyAUXPZBXVYQVRTL-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.44
Rot. Bonds6

About 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol

1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (PubChem CID 109481930) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
PubChem CID109481930
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
SMILESCc1nn(C(C)(C)C)c(C)c1CNCC(O)CN1CCC(C)CC1
InChIInChI=1S/C19H36N4O/c1-14-7-9-22(10-8-14)13-17(24)11-20-12-18-15(2)21-23(16(18)3)19(4,5)6/h14,17,20,24H,7-13H2,1-6H3
InChIKeyAUXPZBXVYQVRTL-UHFFFAOYSA-N
XLogP2.44
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol (CID 109481930) is 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is Cc1nn(C(C)(C)C)c(C)c1CNCC(O)CN1CCC(C)CC1.
What is the InChIKey of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is AUXPZBXVYQVRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-14-7-9-22(10-8-14)13-17(24)11-20-12-18-15(2)21-23(16(18)3)19(4,5)6/h14,17,20,24H,7-13H2,1-6H3.
What are the key properties of 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol?
1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 336.52 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 109481930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).