(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol

C16H19NO2 — CID 117059652

IUPAC(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c18-11-14-8-15(19)10-17(14)9-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,18-19H,8-11H2/t14-,15+/m0/s1
InChIKeyCWPPQZMGGGAGJO-LSDHHAIUSA-N
MW257.33 g/mol
LogP1.77
Rot. Bonds3

About (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol

(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 117059652) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
PubChem CID117059652
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
SMILESOC[C@@H]1C[C@@H](O)CN1Cc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c18-11-14-8-15(19)10-17(14)9-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,18-19H,8-11H2/t14-,15+/m0/s1
InChIKeyCWPPQZMGGGAGJO-LSDHHAIUSA-N
XLogP1.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
(3R)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 10823187
[(2S,4S)-1-[(2,3-dimethoxyphenyl)methyl]-4-fluoropyrrolidin-2-yl]methanol
CID 128983320
5-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 66051669
2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]methanamine
CID 43187015
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
(3R,5S)-1-(2-chloroprop-2-enyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 131084047
5-(hydroxymethyl)-1-(1,2,4-oxadiazol-5-ylmethyl)pyrrolidin-3-ol
CID 164662264
(3S,5S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 167764837
[1-[[2-(naphthalen-1-ylsulfanylmethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 22744770

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol (CID 117059652) is (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol is OC[C@@H]1C[C@@H](O)CN1Cc1cccc2ccccc12.
What is the InChIKey of (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is CWPPQZMGGGAGJO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19NO2/c18-11-14-8-15(19)10-17(14)9-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,14-15,18-19H,8-11H2/t14-,15+/m0/s1.
What are the key properties of (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol?
(3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 257.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(hydroxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 117059652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).