N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine

C12H25N3O2 — CID 87574428

IUPACN,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine
SMILESCON(OC)C1(N2CCCCC2)CCNCC1
InChIInChI=1S/C12H25N3O2/c1-16-15(17-2)12(6-8-13-9-7-12)14-10-4-3-5-11-14/h13H,3-11H2,1-2H3
InChIKeyNSXBMXUXJUZZGV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.98
Rot. Bonds4

About N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine

N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine (PubChem CID 87574428) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine
PubChem CID87574428
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine
SMILESCON(OC)C1(N2CCCCC2)CCNCC1
InChIInChI=1S/C12H25N3O2/c1-16-15(17-2)12(6-8-13-9-7-12)14-10-4-3-5-11-14/h13H,3-11H2,1-2H3
InChIKeyNSXBMXUXJUZZGV-UHFFFAOYSA-N
XLogP0.98
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine?
The IUPAC name of N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine (CID 87574428) is N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine.
What is the SMILES notation for N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine?
The canonical SMILES for N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine is CON(OC)C1(N2CCCCC2)CCNCC1.
What is the InChIKey of N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine?
The InChIKey is NSXBMXUXJUZZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-16-15(17-2)12(6-8-13-9-7-12)14-10-4-3-5-11-14/h13H,3-11H2,1-2H3.
What are the key properties of N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine?
N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethoxy-4-piperidin-1-ylpiperidin-4-amine is sourced from PubChem (CID 87574428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).