(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol

C17H21NO — CID 102507532

IUPAC(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](O)[C@H](c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C17H21NO/c1-13(19)17(18-11-4-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,13,17,19H,4-5,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyLPWUYEDJBKSTIJ-CXAGYDPISA-N
MW255.36 g/mol
LogP3.36
Rot. Bonds3

About (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol

(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol (PubChem CID 102507532) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
PubChem CID102507532
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol
SMILESC[C@@H](O)[C@H](c1cccc2ccccc12)N1CCCC1
InChIInChI=1S/C17H21NO/c1-13(19)17(18-11-4-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,13,17,19H,4-5,11-12H2,1H3/t13-,17-/m1/s1
InChIKeyLPWUYEDJBKSTIJ-CXAGYDPISA-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

3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
CID 43803532
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-[2-(benzenesulfonyl)-1-naphthalen-1-yl-2-phenylethyl]piperidine
CID 44890527
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-(1-naphthalen-1-ylethyl)azetidin-3-ol
CID 23381710
(2S,3S)-3-naphthalen-1-yl-3-(6-piperidin-1-ylpurin-9-yl)propane-1,2-diol
CID 163895651
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
1-[(1R)-3-methyl-1-naphthalen-1-ylbutyl]piperazine;dihydrochloride
CID 171294063

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol (CID 102507532) is (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol is C[C@@H](O)[C@H](c1cccc2ccccc12)N1CCCC1.
What is the InChIKey of (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LPWUYEDJBKSTIJ-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21NO/c1-13(19)17(18-11-4-5-12-18)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,13,17,19H,4-5,11-12H2,1H3/t13-,17-/m1/s1.
What are the key properties of (1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol?
(1S,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol 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,2R)-1-naphthalen-1-yl-1-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 102507532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).