1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

C14H22ClNO2 — CID 2881951

IUPAC1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCCC1
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
InChIKeyDJMAAKZSWMTFKV-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.08
Rot. Bonds6

About 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride

1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (PubChem CID 2881951) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
PubChem CID2881951
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
SMILESCl.OC(COCc1ccccc1)CN1CCCC1
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
InChIKeyDJMAAKZSWMTFKV-UHFFFAOYSA-N
XLogP2.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The IUPAC name of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride (CID 2881951) is 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride.
What is the SMILES notation for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The canonical SMILES for 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride is Cl.OC(COCc1ccccc1)CN1CCCC1.
What is the InChIKey of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
The InChIKey is DJMAAKZSWMTFKV-UHFFFAOYSA-N. 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.
What are the key properties of 1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride?
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 2.08, 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;hydrochloride is sourced from PubChem (CID 2881951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).