1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol

C14H26N4O — CID 106835389

IUPAC1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol
SMILESCc1nn(C(C)C)c(N2CCC(C(C)O)CC2)c1N
InChIInChI=1S/C14H26N4O/c1-9(2)18-14(13(15)10(3)16-18)17-7-5-12(6-8-17)11(4)19/h9,11-12,19H,5-8,15H2,1-4H3
InChIKeyXHLGCBSKTPOGCF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.95
Rot. Bonds3

About 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol

1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol (PubChem CID 106835389) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol
PubChem CID106835389
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol
SMILESCc1nn(C(C)C)c(N2CCC(C(C)O)CC2)c1N
InChIInChI=1S/C14H26N4O/c1-9(2)18-14(13(15)10(3)16-18)17-7-5-12(6-8-17)11(4)19/h9,11-12,19H,5-8,15H2,1-4H3
InChIKeyXHLGCBSKTPOGCF-UHFFFAOYSA-N
XLogP1.95
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol (CID 106835389) is 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol is Cc1nn(C(C)C)c(N2CCC(C(C)O)CC2)c1N.
What is the InChIKey of 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol?
The InChIKey is XHLGCBSKTPOGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9(2)18-14(13(15)10(3)16-18)17-7-5-12(6-8-17)11(4)19/h9,11-12,19H,5-8,15H2,1-4H3.
What are the key properties of 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol?
1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)piperidin-4-yl]ethanol is sourced from PubChem (CID 106835389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).