4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine

C15H29N3O — CID 134577896

IUPAC4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine
SMILESCCCCN1CCC(OC2CN3CCC2C3)C(N)C1
InChIInChI=1S/C15H29N3O/c1-2-3-6-17-8-5-14(13(16)10-17)19-15-11-18-7-4-12(15)9-18/h12-15H,2-11,16H2,1H3
InChIKeyALYUJWUYUINSRD-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.91
Rot. Bonds5

About 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine

4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine (PubChem CID 134577896) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine
PubChem CID134577896
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine
SMILESCCCCN1CCC(OC2CN3CCC2C3)C(N)C1
InChIInChI=1S/C15H29N3O/c1-2-3-6-17-8-5-14(13(16)10-17)19-15-11-18-7-4-12(15)9-18/h12-15H,2-11,16H2,1H3
InChIKeyALYUJWUYUINSRD-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine?
The IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine (CID 134577896) is 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine.
What is the SMILES notation for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine?
The canonical SMILES for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine is CCCCN1CCC(OC2CN3CCC2C3)C(N)C1.
What is the InChIKey of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine?
The InChIKey is ALYUJWUYUINSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-3-6-17-8-5-14(13(16)10-17)19-15-11-18-7-4-12(15)9-18/h12-15H,2-11,16H2,1H3.
What are the key properties of 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine?
4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine has a molecular weight of 267.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.1]heptan-3-yloxy)-1-butylpiperidin-3-amine is sourced from PubChem (CID 134577896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).