(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate

C20H21NO3 — CID 661558

IUPAC(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate
SMILESCN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H21NO3/c1-21-12-10-14(11-13-21)23-20(22)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeySCPZJYUBCGVFCS-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.56
Rot. Bonds2

About (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate

(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate (PubChem CID 661558) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate
PubChem CID661558
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate
SMILESCN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H21NO3/c1-21-12-10-14(11-13-21)23-20(22)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeySCPZJYUBCGVFCS-UHFFFAOYSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propantheline
CID 4934
Propantheline Bromide
CID 9279
Methantheline Bromide
CID 5883
Methantheline
CID 4097
Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
CID 207081
(3R)-1-Azabicyclo[2.2.2]oct-3-yl9H-xanthene-9-carboxylate
CID 939077
[(3R)-1-(2-phenylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 9H-xanthene-9-carboxylate bromide
CID 11569907
N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
Xanthene-9-carboxylic acid, 2-(diethylamino)ethyl ester, hydrochloride
CID 214169
4-Benzyl-1-chroman-3-ylmethyl-piperidine
CID 11152527
4-Benzyl-1-chroman-2-ylmethyl-piperidine
CID 11220953

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate (CID 661558) is (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate is CN1CCC(OC(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate?
The InChIKey is SCPZJYUBCGVFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-21-12-10-14(11-13-21)23-20(22)19-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3.
What are the key properties of (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate?
(1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 9H-xanthene-9-carboxylate is sourced from PubChem (CID 661558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).