(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol

C17H21NO — CID 117063130

IUPAC(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
SMILESO[C@H](CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NO/c19-17(13-18-11-4-1-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,19H,1,4-5,11-13H2/t17-/m1/s1
InChIKeyISYJIORMUAFHNI-QGZVFWFLSA-N
MW255.36 g/mol
LogP3.36
Rot. Bonds3

About (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol

(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol (PubChem CID 117063130) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol.

Molecular Properties

Compound Name(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
PubChem CID117063130
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
SMILESO[C@H](CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NO/c19-17(13-18-11-4-1-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,19H,1,4-5,11-13H2/t17-/m1/s1
InChIKeyISYJIORMUAFHNI-QGZVFWFLSA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
1-(3-methoxy-2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylethanol
CID 22401530
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol
CID 67939505
N-[2-[2-(azepan-1-yl)-1-hydroxyethyl]phenyl]-N-methylmethanesulfonamide
CID 70410988
(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
CID 102507532
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318

Frequently Asked Questions

What is the IUPAC name of (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol?
The IUPAC name of (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol (CID 117063130) is (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol.
What is the SMILES notation for (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol?
The canonical SMILES for (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol is O[C@H](CN1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol?
The InChIKey is ISYJIORMUAFHNI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21NO/c19-17(13-18-11-4-1-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,17,19H,1,4-5,11-13H2/t17-/m1/s1.
What are the key properties of (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol?
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol has a molecular weight of 255.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol is sourced from PubChem (CID 117063130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).