1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine

C19H22N2O — CID 21482845

IUPAC1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
SMILESCN1CCC(NC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H22N2O/c1-21-12-10-14(11-13-21)20-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19-20H,10-13H2,1H3
InChIKeyOSLZCIUZOVHEDG-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine

1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine (PubChem CID 21482845) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
PubChem CID21482845
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
SMILESCN1CCC(NC2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C19H22N2O/c1-21-12-10-14(11-13-21)20-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19-20H,10-13H2,1H3
InChIKeyOSLZCIUZOVHEDG-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482881
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
N-(oxolan-3-yl)-9H-xanthen-9-amine
CID 80718486
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
CID 21482838
N-(3,4-dihydro-1H-isochromen-4-yl)-1-methylpiperidin-4-amine
CID 107148958
N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 115300061
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1-methylpiperidin-4-amine
CID 43522991
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
N,N-dibutyl-3-(9H-xanthen-9-ylamino)piperidine-1-carboxamide
CID 21482833
N-[3-(2-methoxyphenyl)cyclobutyl]-1-methylpiperidin-4-amine
CID 43635379
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine (CID 21482845) is 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine is CN1CCC(NC2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The InChIKey is OSLZCIUZOVHEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21-12-10-14(11-13-21)20-19-15-6-2-4-8-17(15)22-18-9-5-3-7-16(18)19/h2-9,14,19-20H,10-13H2,1H3.
What are the key properties of 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine has a molecular weight of 294.40 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine is sourced from PubChem (CID 21482845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).