4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine

C18H31N5O — CID 82564909

IUPAC4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine
SMILESc1cnn(C2CCN(CC3CCNCC3N3CCOCC3)CC2)c1
InChIInChI=1S/C18H31N5O/c1-5-20-23(7-1)17-3-8-21(9-4-17)15-16-2-6-19-14-18(16)22-10-12-24-13-11-22/h1,5,7,16-19H,2-4,6,8-15H2
InChIKeyVUJQKRICGUZXNM-UHFFFAOYSA-N
MW333.48 g/mol
LogP0.83
Rot. Bonds4

About 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine

4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine (PubChem CID 82564909) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine
PubChem CID82564909
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine
SMILESc1cnn(C2CCN(CC3CCNCC3N3CCOCC3)CC2)c1
InChIInChI=1S/C18H31N5O/c1-5-20-23(7-1)17-3-8-21(9-4-17)15-16-2-6-19-14-18(16)22-10-12-24-13-11-22/h1,5,7,16-19H,2-4,6,8-15H2
InChIKeyVUJQKRICGUZXNM-UHFFFAOYSA-N
XLogP0.83
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine?
The IUPAC name of 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine (CID 82564909) is 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine.
What is the SMILES notation for 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine?
The canonical SMILES for 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine is c1cnn(C2CCN(CC3CCNCC3N3CCOCC3)CC2)c1.
What is the InChIKey of 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine?
The InChIKey is VUJQKRICGUZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-5-20-23(7-1)17-3-8-21(9-4-17)15-16-2-6-19-14-18(16)22-10-12-24-13-11-22/h1,5,7,16-19H,2-4,6,8-15H2.
What are the key properties of 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine?
4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine has a molecular weight of 333.48 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-pyrazol-1-ylpiperidin-1-yl)methyl]piperidin-3-yl]morpholine is sourced from PubChem (CID 82564909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).