1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride

C18H23ClNO2- — CID 21237702

IUPAC1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
SMILESOC(COc1ccc2ccccc2c1)CN1CCCCC1.[Cl-]
InChIInChI=1S/C18H23NO2.ClH/c20-17(13-19-10-4-1-5-11-19)14-21-18-9-8-15-6-2-3-7-16(15)12-18;/h2-3,6-9,12,17,20H,1,4-5,10-11,13-14H2;1H/p-1
InChIKeyGDEQYGXTEJULSU-UHFFFAOYSA-M
MW320.84 g/mol
LogP0.07
Rot. Bonds5

About 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride

1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride (PubChem CID 21237702) has the molecular formula C18H23ClNO2- and a molecular weight of 320.84 g/mol. Its IUPAC name is 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride.

Molecular Properties

Compound Name1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
PubChem CID21237702
Molecular FormulaC18H23ClNO2-
Molecular Weight320.84 g/mol
Exact Mass320.14
IUPAC Name1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
SMILESOC(COc1ccc2ccccc2c1)CN1CCCCC1.[Cl-]
InChIInChI=1S/C18H23NO2.ClH/c20-17(13-19-10-4-1-5-11-19)14-21-18-9-8-15-6-2-3-7-16(15)12-18;/h2-3,6-9,12,17,20H,1,4-5,10-11,13-14H2;1H/p-1
InChIKeyGDEQYGXTEJULSU-UHFFFAOYSA-M
XLogP0.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.84
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 6602971
1-[4-(2-hydroxy-3-phenanthren-3-yloxypropyl)piperazin-1-yl]-3-phenanthren-3-yloxypropan-2-ol
CID 4027669
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride?
The IUPAC name of 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride (CID 21237702) is 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride.
What is the SMILES notation for 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride?
The canonical SMILES for 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride is OC(COc1ccc2ccccc2c1)CN1CCCCC1.[Cl-].
What is the InChIKey of 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride?
The InChIKey is GDEQYGXTEJULSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23NO2.ClH/c20-17(13-19-10-4-1-5-11-19)14-21-18-9-8-15-6-2-3-7-16(15)12-18;/h2-3,6-9,12,17,20H,1,4-5,10-11,13-14H2;1H/p-1.
What are the key properties of 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride?
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride has a molecular weight of 320.84 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride is sourced from PubChem (CID 21237702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).