1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol

C13H24N4O — CID 86771895

IUPAC1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1[nH]ncc1CNCC(O)CN1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11-12(8-15-16-11)7-14-9-13(18)10-17-5-3-2-4-6-17/h8,13-14,18H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyYZGGNDGRPRHNLI-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.65
Rot. Bonds6

About 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol

1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol (PubChem CID 86771895) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol
PubChem CID86771895
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol
SMILESCc1[nH]ncc1CNCC(O)CN1CCCCC1
InChIInChI=1S/C13H24N4O/c1-11-12(8-15-16-11)7-14-9-13(18)10-17-5-3-2-4-6-17/h8,13-14,18H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyYZGGNDGRPRHNLI-UHFFFAOYSA-N
XLogP0.65
TPSA64.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol (CID 86771895) is 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol is Cc1[nH]ncc1CNCC(O)CN1CCCCC1.
What is the InChIKey of 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol?
The InChIKey is YZGGNDGRPRHNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11-12(8-15-16-11)7-14-9-13(18)10-17-5-3-2-4-6-17/h8,13-14,18H,2-7,9-10H2,1H3,(H,15,16).
What are the key properties of 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol?
1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 86771895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).