N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide

C23H29N3O2 — CID 11717835

IUPACN,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
SMILES[H]/N=C(/c1ccc2c(c1)Oc1c(O)cccc1C2C1CCNCC1)N(CC)CC
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)23(24)16-8-9-17-20(14-16)28-22-18(6-5-7-19(22)27)21(17)15-10-12-25-13-11-15/h5-9,14-15,21,24-25,27H,3-4,10-13H2,1-2H3/b24-23-
InChIKeyZSPJMEJSSLLYAE-VHXPQNKSSA-N
MW379.50 g/mol
LogP4.30
Rot. Bonds4

About N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide

N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide (PubChem CID 11717835) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
PubChem CID11717835
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
SMILES[H]/N=C(/c1ccc2c(c1)Oc1c(O)cccc1C2C1CCNCC1)N(CC)CC
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)23(24)16-8-9-17-20(14-16)28-22-18(6-5-7-19(22)27)21(17)15-10-12-25-13-11-15/h5-9,14-15,21,24-25,27H,3-4,10-13H2,1-2H3/b24-23-
InChIKeyZSPJMEJSSLLYAE-VHXPQNKSSA-N
XLogP4.30
TPSA68.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The IUPAC name of N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide (CID 11717835) is N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide.
What is the SMILES notation for N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The canonical SMILES for N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide is [H]/N=C(/c1ccc2c(c1)Oc1c(O)cccc1C2C1CCNCC1)N(CC)CC.
What is the InChIKey of N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The InChIKey is ZSPJMEJSSLLYAE-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26(4-2)23(24)16-8-9-17-20(14-16)28-22-18(6-5-7-19(22)27)21(17)15-10-12-25-13-11-15/h5-9,14-15,21,24-25,27H,3-4,10-13H2,1-2H3/b24-23-.
What are the key properties of N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide has a molecular weight of 379.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-hydroxy-9-piperidin-4-yl-9H-xanthene-3-carboximidamide is sourced from PubChem (CID 11717835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).