4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

C18H32N4O — CID 56715365

IUPAC4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCc1nn(C(C)C)c(C)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C18H32N4O/c1-14(2)22-16(4)18(15(3)19-22)13-20-7-5-6-17(12-20)21-8-10-23-11-9-21/h14,17H,5-13H2,1-4H3
InChIKeyRSQLFKTWDQKHIF-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.38
Rot. Bonds4

About 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine

4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 56715365) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
PubChem CID56715365
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
SMILESCc1nn(C(C)C)c(C)c1CN1CCCC(N2CCOCC2)C1
InChIInChI=1S/C18H32N4O/c1-14(2)22-16(4)18(15(3)19-22)13-20-7-5-6-17(12-20)21-8-10-23-11-9-21/h14,17H,5-13H2,1-4H3
InChIKeyRSQLFKTWDQKHIF-UHFFFAOYSA-N
XLogP2.38
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine (CID 56715365) is 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is Cc1nn(C(C)C)c(C)c1CN1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is RSQLFKTWDQKHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-14(2)22-16(4)18(15(3)19-22)13-20-7-5-6-17(12-20)21-8-10-23-11-9-21/h14,17H,5-13H2,1-4H3.
What are the key properties of 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine?
4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 320.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 56715365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).