N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine

C15H30N2O — CID 55190548

IUPACN-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine
SMILESCCCN1CCCC(C(C)NC2CCCOC2)C1
InChIInChI=1S/C15H30N2O/c1-3-8-17-9-4-6-14(11-17)13(2)16-15-7-5-10-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyDZKCBVRQZSIJAV-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine

N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine (PubChem CID 55190548) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine
PubChem CID55190548
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine
SMILESCCCN1CCCC(C(C)NC2CCCOC2)C1
InChIInChI=1S/C15H30N2O/c1-3-8-17-9-4-6-14(11-17)13(2)16-15-7-5-10-18-12-15/h13-16H,3-12H2,1-2H3
InChIKeyDZKCBVRQZSIJAV-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine (CID 55190548) is N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine is CCCN1CCCC(C(C)NC2CCCOC2)C1.
What is the InChIKey of N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine?
The InChIKey is DZKCBVRQZSIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-17-9-4-6-14(11-17)13(2)16-15-7-5-10-18-12-15/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine?
N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-propylpiperidin-3-yl)ethyl]oxan-3-amine is sourced from PubChem (CID 55190548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).