1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine

C16H23NO — CID 10421988

IUPAC1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine
SMILESc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-16(5-3-1)18-13-15-8-10-17(11-9-15)12-14-6-7-14/h1-5,14-15H,6-13H2
InChIKeyLBTGMWREZZLOAH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.19
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine

1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine (PubChem CID 10421988) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine
PubChem CID10421988
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine
SMILESc1ccc(OCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H23NO/c1-2-4-16(5-3-1)18-13-15-8-10-17(11-9-15)12-14-6-7-14/h1-5,14-15H,6-13H2
InChIKeyLBTGMWREZZLOAH-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine (CID 10421988) is 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine is c1ccc(OCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine?
The InChIKey is LBTGMWREZZLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-4-16(5-3-1)18-13-15-8-10-17(11-9-15)12-14-6-7-14/h1-5,14-15H,6-13H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine?
1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine has a molecular weight of 245.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(phenoxymethyl)piperidine is sourced from PubChem (CID 10421988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).