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

C23H28N2O — CID 21482881

IUPAC1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H28N2O/c1-2-8-18(7-1)25-15-13-17(14-16-25)24-23-19-9-3-5-11-21(19)26-22-12-6-4-10-20(22)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2
InChIKeyBCRPXPSVJWTGIV-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.88
Rot. Bonds3

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

1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine (PubChem CID 21482881) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
PubChem CID21482881
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine
SMILESc1ccc2c(c1)Oc1ccccc1C2NC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H28N2O/c1-2-8-18(7-1)25-15-13-17(14-16-25)24-23-19-9-3-5-11-21(19)26-22-12-6-4-10-20(22)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2
InChIKeyBCRPXPSVJWTGIV-UHFFFAOYSA-N
XLogP4.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(9H-xanthen-9-yl)piperidin-4-amine
CID 21482845
1-ethyl-N-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 21482885
N-(oxolan-3-yl)-9H-xanthen-9-amine
CID 80718486
N-methyl-1-(9H-xanthen-9-yl)pyrrolidin-3-amine
CID 115300061
1-butyl-N-(9H-xanthen-9-yl)piperidin-3-amine
CID 21482838
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 131703888
1-cyclopropyl-N-[(3R,4S)-3-methyl-3,4-dihydro-2H-thiochromen-4-yl]piperidin-4-amine
CID 97235688
N-(2-chlorophenyl)-1-cycloheptylpiperidin-4-amine
CID 3576043
[4-(thian-4-yl)-1,4-diazepan-1-yl]-(9H-xanthen-9-yl)methanone
CID 122245357
1-cyclopropyl-N-[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-amine
CID 97257089
N-(4-chloro-9H-xanthen-9-yl)-1-ethylpiperidin-3-amine
CID 21482830
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The IUPAC name of 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine (CID 21482881) is 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine.
What is the SMILES notation for 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The canonical SMILES for 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine is c1ccc2c(c1)Oc1ccccc1C2NC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
The InChIKey is BCRPXPSVJWTGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-8-18(7-1)25-15-13-17(14-16-25)24-23-19-9-3-5-11-21(19)26-22-12-6-4-10-20(22)23/h3-6,9-12,17-18,23-24H,1-2,7-8,13-16H2.
What are the key properties of 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine?
1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine has a molecular weight of 348.49 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(9H-xanthen-9-yl)piperidin-4-amine is sourced from PubChem (CID 21482881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).