1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine

C14H27NO — CID 127602858

IUPAC1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)14-5-7-15(8-6-14)10-13-4-3-9-16-11-13/h12-14H,3-11H2,1-2H3
InChIKeySYYQWOQHARYHQS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.78
Rot. Bonds3

About 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine

1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine (PubChem CID 127602858) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine
PubChem CID127602858
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CC2CCCOC2)CC1
InChIInChI=1S/C14H27NO/c1-12(2)14-5-7-15(8-6-14)10-13-4-3-9-16-11-13/h12-14H,3-11H2,1-2H3
InChIKeySYYQWOQHARYHQS-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine (CID 127602858) is 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CC2CCCOC2)CC1.
What is the InChIKey of 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine?
The InChIKey is SYYQWOQHARYHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(2)14-5-7-15(8-6-14)10-13-4-3-9-16-11-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine?
1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine has a molecular weight of 225.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-ylmethyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 127602858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).