1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride

C14H21ClNO2- — CID 53346846

IUPAC1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
SMILESOC(COCc1ccccc1)CN1CCCC1.[Cl-]
InChIInChI=1S/C14H21NO2.ClH/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;1H/p-1
InChIKeyDJMAAKZSWMTFKV-UHFFFAOYSA-M
MW270.78 g/mol
LogP-1.34
Rot. Bonds6

About 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride

1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride (PubChem CID 53346846) has the molecular formula C14H21ClNO2- and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride.

Molecular Properties

Compound Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
PubChem CID53346846
Molecular FormulaC14H21ClNO2-
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
SMILESOC(COCc1ccccc1)CN1CCCC1.[Cl-]
InChIInChI=1S/C14H21NO2.ClH/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;1H/p-1
InChIKeyDJMAAKZSWMTFKV-UHFFFAOYSA-M
XLogP-1.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
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-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride?
The IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride (CID 53346846) is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride.
What is the SMILES notation for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride?
The canonical SMILES for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride is OC(COCc1ccccc1)CN1CCCC1.[Cl-].
What is the InChIKey of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride?
The InChIKey is DJMAAKZSWMTFKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21NO2.ClH/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;1H/p-1.
What are the key properties of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride?
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride has a molecular weight of 270.78 g/mol, XLogP of -1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride is sourced from PubChem (CID 53346846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).