N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine

C18H26N2O — CID 79537602

IUPACN-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NC1CCCC1C1CCCCN1)CCO2
InChIInChI=1S/C18H26N2O/c1-2-10-19-16(5-1)15-4-3-6-17(15)20-14-7-8-18-13(12-14)9-11-21-18/h7-8,12,15-17,19-20H,1-6,9-11H2
InChIKeyZFRRBGWZCWUVGT-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds3

About N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine

N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine (PubChem CID 79537602) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
PubChem CID79537602
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine
SMILESc1cc2c(cc1NC1CCCC1C1CCCCN1)CCO2
InChIInChI=1S/C18H26N2O/c1-2-10-19-16(5-1)15-4-3-6-17(15)20-14-7-8-18-13(12-14)9-11-21-18/h7-8,12,15-17,19-20H,1-6,9-11H2
InChIKeyZFRRBGWZCWUVGT-UHFFFAOYSA-N
XLogP3.34
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-pyrrolidin-2-ylcyclopentyl)-1,3-benzodioxol-5-amine
CID 79536079
4-[(2-piperidin-2-ylcyclopentyl)amino]phenol
CID 79545447
4-[(2-piperidin-2-ylcyclohexyl)amino]phenol
CID 79553578
3-N,3-N-dimethyl-1-N-(2-piperidin-2-ylcyclopentyl)benzene-1,3-diamine
CID 115376568
3,5-difluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545806
2-chloro-1-N,1-N-dimethyl-4-N-(2-pyrrolidin-2-ylcyclopentyl)benzene-1,4-diamine
CID 79536895
3-[(2-piperidin-2-ylcyclopentyl)amino]benzonitrile
CID 79545201
3,4,5-trifluoro-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79537664
2-methyl-5-[(2-pyrrolidin-2-ylcyclohexyl)amino]phenol
CID 107700278
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
3-methoxy-N-(2-piperidin-2-ylcyclopentyl)aniline
CID 79545058
4-bromo-3-chloro-N-(2-pyrrolidin-2-ylcyclopentyl)aniline
CID 107619264

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The IUPAC name of N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine (CID 79537602) is N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine.
What is the SMILES notation for N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The canonical SMILES for N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine is c1cc2c(cc1NC1CCCC1C1CCCCN1)CCO2.
What is the InChIKey of N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
The InChIKey is ZFRRBGWZCWUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-10-19-16(5-1)15-4-3-6-17(15)20-14-7-8-18-13(12-14)9-11-21-18/h7-8,12,15-17,19-20H,1-6,9-11H2.
What are the key properties of N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine?
N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine has a molecular weight of 286.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-2-ylcyclopentyl)-2,3-dihydro-1-benzofuran-5-amine is sourced from PubChem (CID 79537602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).