3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine

C13H26N2O — CID 103497369

IUPAC3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine
SMILESCC(C)C1CCN(CC2(N)CCOC2)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)12-3-6-15(7-4-12)9-13(14)5-8-16-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyHPQBJWWIJROXQB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds3

About 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine

3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine (PubChem CID 103497369) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine
PubChem CID103497369
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine
SMILESCC(C)C1CCN(CC2(N)CCOC2)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)12-3-6-15(7-4-12)9-13(14)5-8-16-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyHPQBJWWIJROXQB-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine (CID 103497369) is 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine is CC(C)C1CCN(CC2(N)CCOC2)CC1.
What is the InChIKey of 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine?
The InChIKey is HPQBJWWIJROXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)12-3-6-15(7-4-12)9-13(14)5-8-16-10-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine?
3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylpiperidin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 103497369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).