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

C23H29N3O — CID 11717529

IUPACN,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
SMILES[H]/N=C(/c1ccc2c(c1)Oc1ccccc1C2C1CCNCC1)N(CC)CC
InChIInChI=1S/C23H29N3O/c1-3-26(4-2)23(24)17-9-10-19-21(15-17)27-20-8-6-5-7-18(20)22(19)16-11-13-25-14-12-16/h5-10,15-16,22,24-25H,3-4,11-14H2,1-2H3/b24-23-
InChIKeyDGFTTZJNSXIEFN-VHXPQNKSSA-N
MW363.51 g/mol
LogP4.59
Rot. Bonds4

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

N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide (PubChem CID 11717529) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide.

Molecular Properties

Compound NameN,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
PubChem CID11717529
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide
SMILES[H]/N=C(/c1ccc2c(c1)Oc1ccccc1C2C1CCNCC1)N(CC)CC
InChIInChI=1S/C23H29N3O/c1-3-26(4-2)23(24)17-9-10-19-21(15-17)27-20-8-6-5-7-18(20)22(19)16-11-13-25-14-12-16/h5-10,15-16,22,24-25H,3-4,11-14H2,1-2H3/b24-23-
InChIKeyDGFTTZJNSXIEFN-VHXPQNKSSA-N
XLogP4.59
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The IUPAC name of N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide (CID 11717529) is N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide.
What is the SMILES notation for N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The canonical SMILES for N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide is [H]/N=C(/c1ccc2c(c1)Oc1ccccc1C2C1CCNCC1)N(CC)CC.
What is the InChIKey of N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
The InChIKey is DGFTTZJNSXIEFN-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-26(4-2)23(24)17-9-10-19-21(15-17)27-20-8-6-5-7-18(20)22(19)16-11-13-25-14-12-16/h5-10,15-16,22,24-25H,3-4,11-14H2,1-2H3/b24-23-.
What are the key properties of N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide?
N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide has a molecular weight of 363.51 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-9-piperidin-4-yl-9H-xanthene-3-carboximidamide is sourced from PubChem (CID 11717529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).