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

C16H20N2O — CID 61297189

IUPAC1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
SMILESNC1CCCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c17-13-5-3-9-18(10-13)11-15-14-6-2-1-4-12(14)7-8-16(15)19/h1-2,4,6-8,13,19H,3,5,9-11,17H2
InChIKeyJDRJFVBYLLDQGI-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.47
Rot. Bonds2

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

1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol (PubChem CID 61297189) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
PubChem CID61297189
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
SMILESNC1CCCN(Cc2c(O)ccc3ccccc23)C1
InChIInChI=1S/C16H20N2O/c17-13-5-3-9-18(10-13)11-15-14-6-2-1-4-12(14)7-8-16(15)19/h1-2,4,6-8,13,19H,3,5,9-11,17H2
InChIKeyJDRJFVBYLLDQGI-UHFFFAOYSA-N
XLogP2.47
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]naphthalen-2-ol
CID 136522765
1-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 63263425
1-[[3-(methylamino)pyrrolidin-1-yl]methyl]naphthalen-2-ol
CID 115299972
[1-[(2-hydroxynaphthalen-1-yl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 35870224
3-[(3-aminopiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 61403458
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-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250

Frequently Asked Questions

What is the IUPAC name of 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol (CID 61297189) is 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol is NC1CCCN(Cc2c(O)ccc3ccccc23)C1.
What is the InChIKey of 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol?
The InChIKey is JDRJFVBYLLDQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-13-5-3-9-18(10-13)11-15-14-6-2-1-4-12(14)7-8-16(15)19/h1-2,4,6-8,13,19H,3,5,9-11,17H2.
What are the key properties of 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol?
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol has a molecular weight of 256.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 61297189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).