1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol

C22H25N3O — CID 110897961

IUPAC1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
SMILESOC(CNC1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N3O/c26-21(19-9-8-17-5-1-2-6-18(17)15-19)16-24-20-10-13-25(14-11-20)22-7-3-4-12-23-22/h1-9,12,15,20-21,24,26H,10-11,13-14,16H2
InChIKeyMXYHNFVMNCGHDU-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.53
Rot. Bonds5

About 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol

1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol (PubChem CID 110897961) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
PubChem CID110897961
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol
SMILESOC(CNC1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C22H25N3O/c26-21(19-9-8-17-5-1-2-6-18(17)15-19)16-24-20-10-13-25(14-11-20)22-7-3-4-12-23-22/h1-9,12,15,20-21,24,26H,10-11,13-14,16H2
InChIKeyMXYHNFVMNCGHDU-UHFFFAOYSA-N
XLogP3.53
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol (CID 110897961) is 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol is OC(CNC1CCN(c2ccccn2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
The InChIKey is MXYHNFVMNCGHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-21(19-9-8-17-5-1-2-6-18(17)15-19)16-24-20-10-13-25(14-11-20)22-7-3-4-12-23-22/h1-9,12,15,20-21,24,26H,10-11,13-14,16H2.
What are the key properties of 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol?
1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol has a molecular weight of 347.46 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 110897961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).