1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine

C22H27NO2 — CID 10472266

IUPAC1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine
SMILESc1ccc(Oc2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-2-4-21(5-3-1)25-22-10-8-20(9-11-22)24-17-19-12-14-23(15-13-19)16-18-6-7-18/h1-5,8-11,18-19H,6-7,12-17H2
InChIKeyVDAGLALCXOCSPL-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.98
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine

1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine (PubChem CID 10472266) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine
PubChem CID10472266
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine
SMILESc1ccc(Oc2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1
InChIInChI=1S/C22H27NO2/c1-2-4-21(5-3-1)25-22-10-8-20(9-11-22)24-17-19-12-14-23(15-13-19)16-18-6-7-18/h1-5,8-11,18-19H,6-7,12-17H2
InChIKeyVDAGLALCXOCSPL-UHFFFAOYSA-N
XLogP4.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine (CID 10472266) is 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine is c1ccc(Oc2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine?
The InChIKey is VDAGLALCXOCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-4-21(5-3-1)25-22-10-8-20(9-11-22)24-17-19-12-14-23(15-13-19)16-18-6-7-18/h1-5,8-11,18-19H,6-7,12-17H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine has a molecular weight of 337.46 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-phenoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 10472266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).