1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride

C17H22ClNO — CID 3047655

IUPAC1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyMLAXRSNOPDZUTC-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.78
Rot. Bonds3

About 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride

1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride (PubChem CID 3047655) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
PubChem CID3047655
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
SMILESCl.OC(CN1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C17H21NO.ClH/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;1H
InChIKeyMLAXRSNOPDZUTC-UHFFFAOYSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
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-(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 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride?
The IUPAC name of 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride (CID 3047655) is 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride is Cl.OC(CN1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride?
The InChIKey is MLAXRSNOPDZUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO.ClH/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;1H.
What are the key properties of 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride?
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride is sourced from PubChem (CID 3047655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).