5-(piperidin-3-ylmethylamino)naphthalen-1-ol

C16H20N2O — CID 80554062

IUPAC5-(piperidin-3-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCC3CCCNC3)cccc12
InChIInChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-2,5-8,12,17-19H,3-4,9-11H2
InChIKeyFZRCPVULYDHEFK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.96
Rot. Bonds3

About 5-(piperidin-3-ylmethylamino)naphthalen-1-ol

5-(piperidin-3-ylmethylamino)naphthalen-1-ol (PubChem CID 80554062) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(piperidin-3-ylmethylamino)naphthalen-1-ol.

Molecular Properties

Compound Name5-(piperidin-3-ylmethylamino)naphthalen-1-ol
PubChem CID80554062
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(piperidin-3-ylmethylamino)naphthalen-1-ol
SMILESOc1cccc2c(NCC3CCCNC3)cccc12
InChIInChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-2,5-8,12,17-19H,3-4,9-11H2
InChIKeyFZRCPVULYDHEFK-UHFFFAOYSA-N
XLogP2.96
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
N-(piperidin-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 62313468
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
2-bromo-6-(piperidin-3-ylmethylamino)benzamide
CID 114884738
N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
2-(difluoromethylsulfanyl)-N-(piperidin-3-ylmethyl)aniline
CID 80553229
N-methyl-2-[2-(piperidin-3-ylmethylamino)phenyl]acetamide
CID 80553694
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-3-ylmethylamino)naphthalen-1-ol?
The IUPAC name of 5-(piperidin-3-ylmethylamino)naphthalen-1-ol (CID 80554062) is 5-(piperidin-3-ylmethylamino)naphthalen-1-ol.
What is the SMILES notation for 5-(piperidin-3-ylmethylamino)naphthalen-1-ol?
The canonical SMILES for 5-(piperidin-3-ylmethylamino)naphthalen-1-ol is Oc1cccc2c(NCC3CCCNC3)cccc12.
What is the InChIKey of 5-(piperidin-3-ylmethylamino)naphthalen-1-ol?
The InChIKey is FZRCPVULYDHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16-8-2-5-13-14(16)6-1-7-15(13)18-11-12-4-3-9-17-10-12/h1-2,5-8,12,17-19H,3-4,9-11H2.
What are the key properties of 5-(piperidin-3-ylmethylamino)naphthalen-1-ol?
5-(piperidin-3-ylmethylamino)naphthalen-1-ol has a molecular weight of 256.35 g/mol, XLogP of 2.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-3-ylmethylamino)naphthalen-1-ol is sourced from PubChem (CID 80554062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).