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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Related Compounds

N-methyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]cyclohexanamine
CID 82565202
N,1-dimethyl-N-[[3-(4-pyrazol-1-ylpiperidin-1-yl)piperidin-4-yl]methyl]piperidin-4-amine
CID 82565205
1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]azepane
CID 82564798
4-[2-(3-pyrazol-1-ylpyrrolidin-1-yl)ethyl]morpholine
CID 126946440
1-[1-(oxan-4-ylmethyl)pyrrolidin-3-yl]pyrazole
CID 126946622
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
CID 82565018
N,1-dimethyl-N-[(3-morpholin-4-ylpiperidin-4-yl)methyl]piperidin-4-amine
CID 82564905
1-[1-(oxan-4-ylmethyl)azetidin-3-yl]pyrazole
CID 126900374
2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol
CID 82564927
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
1-cyclopentylpyrazole
CID 10844435
1-(1-prop-2-enylpyrrolidin-3-yl)pyrazole
CID 130778362

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).