(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol

C14H21NO2 — CID 740501

IUPAC(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@H](COCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyGPGFZYXTSUJNFM-AWEZNQCLSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds6

About (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol

(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 740501) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID740501
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESO[C@H](COCc1ccccc1)CN1CCCC1
InChIInChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1
InChIKeyGPGFZYXTSUJNFM-AWEZNQCLSA-N
XLogP1.66
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(2-hydroxy-3-phenylmethoxypropyl)-1,4-diazepan-1-yl]ethanone
CID 17471466
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol (CID 740501) is (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol is O[C@H](COCc1ccccc1)CN1CCCC1.
What is the InChIKey of (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is GPGFZYXTSUJNFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(10-15-8-4-5-9-15)12-17-11-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m0/s1.
What are the key properties of (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol?
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 740501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).