4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine

C19H29N5O — CID 163559619

IUPAC4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine
SMILESc1cc(C2CCCCN2)[nH]nc(N2CCOCC2)c2c(n1)CCCC2
InChIInChI=1S/C19H29N5O/c1-2-6-16-15(5-1)19(24-11-13-25-14-12-24)23-22-18(8-10-21-16)17-7-3-4-9-20-17/h8,10,17,20,22H,1-7,9,11-14H2/b18-8-,21-10-,23-19+
InChIKeyLHOGNPNLLOSTIO-MSDNOGKUSA-N
MW343.48 g/mol
LogP2.46
Rot. Bonds2

About 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine

4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine (PubChem CID 163559619) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine.

Molecular Properties

Compound Name4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine
PubChem CID163559619
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine
SMILESc1cc(C2CCCCN2)[nH]nc(N2CCOCC2)c2c(n1)CCCC2
InChIInChI=1S/C19H29N5O/c1-2-6-16-15(5-1)19(24-11-13-25-14-12-24)23-22-18(8-10-21-16)17-7-3-4-9-20-17/h8,10,17,20,22H,1-7,9,11-14H2/b18-8-,21-10-,23-19+
InChIKeyLHOGNPNLLOSTIO-MSDNOGKUSA-N
XLogP2.46
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine with MolForge

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Related Compounds

4-(2-piperidin-2-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl)morpholine
CID 121406375
4-(4-pyrrolidin-2-ylpyrimidin-2-yl)morpholine
CID 75485556
4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine
CID 3706864
morpholin-4-yl-(5-piperidin-2-yl-1H-pyrazol-3-yl)methanone
CID 110085527
6-piperidin-2-yl-1H-pyrimidin-2-one
CID 83846397
4-[6-[(2R)-pyrrolidin-2-yl]-2-pyridinyl]-1,4-oxazepane
CID 95846671
1-(3-piperidin-2-yl-2-pyridinyl)azepane
CID 102541861
4-[3-methyl-4-[[3-[(2S)-pyrrolidin-2-yl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methyl]phenyl]morpholine
CID 92622325
4-[4-(2-piperidin-2-ylphenyl)phenyl]morpholine
CID 173116240
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
4-(2-cyclopropyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
CID 53192899
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine?
The IUPAC name of 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine (CID 163559619) is 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine.
What is the SMILES notation for 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine?
The canonical SMILES for 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine is c1cc(C2CCCCN2)[nH]nc(N2CCOCC2)c2c(n1)CCCC2.
What is the InChIKey of 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine?
The InChIKey is LHOGNPNLLOSTIO-MSDNOGKUSA-N. The full InChI is InChI=1S/C19H29N5O/c1-2-6-16-15(5-1)19(24-11-13-25-14-12-24)23-22-18(8-10-21-16)17-7-3-4-9-20-17/h8,10,17,20,22H,1-7,9,11-14H2/b18-8-,21-10-,23-19+.
What are the key properties of 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine?
4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine has a molecular weight of 343.48 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-2-yl-8,9,10,11-tetrahydro-5H-1,5,6-benzotriazonin-7-yl)morpholine is sourced from PubChem (CID 163559619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).