1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine

C22H28N2O — CID 21482838

IUPAC1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
SMILESCCCCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C22H28N2O/c1-2-3-14-24-15-8-9-17(16-24)23-22-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)22/h4-7,10-13,17,22-23H,2-3,8-9,14-16H2,1H3
InChIKeyBTNHBJIJAHFXAK-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.74
Rot. Bonds5

About 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine

1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine (PubChem CID 21482838) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
PubChem CID21482838
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
SMILESCCCCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C22H28N2O/c1-2-3-14-24-15-8-9-17(16-24)23-22-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)22/h4-7,10-13,17,22-23H,2-3,8-9,14-16H2,1H3
InChIKeyBTNHBJIJAHFXAK-UHFFFAOYSA-N
XLogP4.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830
1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
N-benzyl-1-butylpiperidin-3-amine
CID 83993554
N-(1,8-dimethyl-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482821
1-butyl-N-methylpiperidin-3-amine
CID 62534430
N-(3,4-dihydro-2H-chromen-4-yl)-1-ethylpiperidin-3-amine
CID 61170368
N-(2,2-dimethyl-3H-1-benzofuran-3-yl)-1-ethylpiperidin-3-amine
CID 106701023
(1-butylpyrrolidin-3-yl) 9H-xanthene-9-carboxylate;hydrochloride
CID 21149950
N-(oxolan-3-yl)-9H-xanthen-9-amine
CID 80718486
ethyl (3R)-1-[3-(10,12-dihydrobenzo[b][1,5]benzoxazocin-11-yl)propyl]piperidine-3-carboxylate
CID 70203449
(4aR,10bR)-4-butyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 14151592

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The IUPAC name of 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine (CID 21482838) is 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine.
What is the SMILES notation for 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The canonical SMILES for 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine is CCCCN1CCCC(NC2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
The InChIKey is BTNHBJIJAHFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-2-3-14-24-15-8-9-17(16-24)23-22-18-10-4-6-12-20(18)25-21-13-7-5-11-19(21)22/h4-7,10-13,17,22-23H,2-3,8-9,14-16H2,1H3.
What are the key properties of 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine?
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine has a molecular weight of 336.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine is sourced from PubChem (CID 21482838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).