(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol

C17H21NO2 — CID 754051

IUPAC(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1)CN1CCCC1
InChIInChI=1S/C17H21NO2/c19-16(12-18-9-3-4-10-18)13-20-17-8-7-14-5-1-2-6-15(14)11-17/h1-2,5-8,11,16,19H,3-4,9-10,12-13H2/t16-/m1/s1
InChIKeyLZDYKIDRYGNHSQ-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.68
Rot. Bonds5

About (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol

(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 754051) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID754051
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@@H](COc1ccc2ccccc2c1)CN1CCCC1
InChIInChI=1S/C17H21NO2/c19-16(12-18-9-3-4-10-18)13-20-17-8-7-14-5-1-2-6-15(14)11-17/h1-2,5-8,11,16,19H,3-4,9-10,12-13H2/t16-/m1/s1
InChIKeyLZDYKIDRYGNHSQ-MRXNPFEDSA-N
XLogP2.68
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(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-[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-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
4-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-1-yl]phenol
CID 29404351
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
1-(3,4-dimethylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2881965
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401

Frequently Asked Questions

What is the IUPAC name of (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol (CID 754051) is (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol is O[C@@H](COc1ccc2ccccc2c1)CN1CCCC1.
What is the InChIKey of (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LZDYKIDRYGNHSQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO2/c19-16(12-18-9-3-4-10-18)13-20-17-8-7-14-5-1-2-6-15(14)11-17/h1-2,5-8,11,16,19H,3-4,9-10,12-13H2/t16-/m1/s1.
What are the key properties of (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol?
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 754051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).