1-propan-2-yl-4-propoxypiperidine

C11H23NO — CID 58546888

IUPAC1-propan-2-yl-4-propoxypiperidine
SMILESCCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23NO/c1-4-9-13-11-5-7-12(8-6-11)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyHDGPQFLYDOJEOB-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds4

About 1-propan-2-yl-4-propoxypiperidine

1-propan-2-yl-4-propoxypiperidine (PubChem CID 58546888) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-propan-2-yl-4-propoxypiperidine.

Molecular Properties

Compound Name1-propan-2-yl-4-propoxypiperidine
PubChem CID58546888
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-propan-2-yl-4-propoxypiperidine
SMILESCCCOC1CCN(C(C)C)CC1
InChIInChI=1S/C11H23NO/c1-4-9-13-11-5-7-12(8-6-11)10(2)3/h10-11H,4-9H2,1-3H3
InChIKeyHDGPQFLYDOJEOB-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-propoxypiperidine?
The IUPAC name of 1-propan-2-yl-4-propoxypiperidine (CID 58546888) is 1-propan-2-yl-4-propoxypiperidine.
What is the SMILES notation for 1-propan-2-yl-4-propoxypiperidine?
The canonical SMILES for 1-propan-2-yl-4-propoxypiperidine is CCCOC1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-propoxypiperidine?
The InChIKey is HDGPQFLYDOJEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-9-13-11-5-7-12(8-6-11)10(2)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-propoxypiperidine?
1-propan-2-yl-4-propoxypiperidine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-propoxypiperidine is sourced from PubChem (CID 58546888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).