1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine

C18H26N2O — CID 60978283

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine
SMILESc1ccc2c(c1)OCCC2N1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H26N2O/c1-2-8-18-15(6-1)17(9-12-21-18)20-11-4-5-14(13-20)16-7-3-10-19-16/h1-2,6,8,14,16-17,19H,3-5,7,9-13H2
InChIKeyQXRHPTQHTCZZQL-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.97
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine

1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978283) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine
PubChem CID60978283
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine
SMILESc1ccc2c(c1)OCCC2N1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H26N2O/c1-2-8-18-15(6-1)17(9-12-21-18)20-11-4-5-14(13-20)16-7-3-10-19-16/h1-2,6,8,14,16-17,19H,3-5,7,9-13H2
InChIKeyQXRHPTQHTCZZQL-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
CID 177100016
1-(3,4-dihydro-2H-chromen-4-yl)-3-propan-2-ylpiperazine
CID 64953170
(4aS,7aS)-6-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682874
1-(3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-one
CID 62365917
2-[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridin-6-yl]-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 154564468
(4aS,7aS)-6-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678936
(4aS,7aS)-6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678925
(8aR,12aS,13aR)-4-chloro-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 18636306
1-(3,4-dihydro-2H-chromen-4-yl)-1,3-diazinan-2-one
CID 113296325
1-(2-phenylprop-2-enyl)-3-pyrrolidin-2-ylpiperidine
CID 115328459
5-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 83705398
6-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682499

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine (CID 60978283) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine is c1ccc2c(c1)OCCC2N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is QXRHPTQHTCZZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-8-18-15(6-1)17(9-12-21-18)20-11-4-5-14(13-20)16-7-3-10-19-16/h1-2,6,8,14,16-17,19H,3-5,7,9-13H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine?
1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 286.42 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).