1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride

C18H24ClNO2 — CID 14556459

IUPAC1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1cccc2ccccc12)CN1CCCCC1
InChIInChI=1S/C18H23NO2.ClH/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18;/h2-3,6-10,16,20H,1,4-5,11-14H2;1H
InChIKeyPMMVFTJVAUABLF-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.49
Rot. Bonds5

About 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride

1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 14556459) has the molecular formula C18H24ClNO2 and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
PubChem CID14556459
Molecular FormulaC18H24ClNO2
Molecular Weight321.85 g/mol
Exact Mass321.15
IUPAC Name1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COc1cccc2ccccc12)CN1CCCCC1
InChIInChI=1S/C18H23NO2.ClH/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18;/h2-3,6-10,16,20H,1,4-5,11-14H2;1H
InChIKeyPMMVFTJVAUABLF-UHFFFAOYSA-N
XLogP3.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-3-ol
CID 18081673
(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 45283774
4-[[4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 32601948
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
ethyl 4-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]piperazine-1-carboxylate
CID 27646446
1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
(2R)-1-naphthalen-1-yloxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 100856123

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride (CID 14556459) is 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COc1cccc2ccccc12)CN1CCCCC1.
What is the InChIKey of 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is PMMVFTJVAUABLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2.ClH/c20-16(13-19-11-4-1-5-12-19)14-21-18-10-6-8-15-7-2-3-9-17(15)18;/h2-3,6-10,16,20H,1,4-5,11-14H2;1H.
What are the key properties of 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride?
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride is sourced from PubChem (CID 14556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).