1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol

C19H24N2O — CID 136522765

IUPAC1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C19H24N2O/c22-19-8-7-15-5-1-2-6-17(15)18(19)14-20-12-9-16(13-20)21-10-3-4-11-21/h1-2,5-8,16,22H,3-4,9-14H2
InChIKeyQEHSPMDLXPEJNM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.22
Rot. Bonds3

About 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol

1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol (PubChem CID 136522765) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
PubChem CID136522765
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCC(N2CCCC2)C1
InChIInChI=1S/C19H24N2O/c22-19-8-7-15-5-1-2-6-17(15)18(19)14-20-12-9-16(13-20)21-10-3-4-11-21/h1-2,5-8,16,22H,3-4,9-14H2
InChIKeyQEHSPMDLXPEJNM-UHFFFAOYSA-N
XLogP3.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 115299972
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
2,4-dichloro-3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 74239756
1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 63263425
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980205
2-bromo-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82980206
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
(9aS)-2-(naphthalen-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 95053254
2-benzyl-4-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1-benzofuran-5-ol
CID 71666754
1-[[4-[2-hydroxy-3-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]methyl]naphthalen-2-ol
CID 23878911
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol (CID 136522765) is 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCC(N2CCCC2)C1.
What is the InChIKey of 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is QEHSPMDLXPEJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19-8-7-15-5-1-2-6-17(15)18(19)14-20-12-9-16(13-20)21-10-3-4-11-21/h1-2,5-8,16,22H,3-4,9-14H2.
What are the key properties of 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol?
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 296.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 136522765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).