N-(3-methoxypropyl)piperidin-4-amine

C9H20N2O — CID 53415193

IUPACN-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCNC1CCNCC1
InChIInChI=1S/C9H20N2O/c1-12-8-2-5-11-9-3-6-10-7-4-9/h9-11H,2-8H2,1H3
InChIKeyYRGKEQNWGQDELR-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.36
Rot. Bonds5

About N-(3-methoxypropyl)piperidin-4-amine

N-(3-methoxypropyl)piperidin-4-amine (PubChem CID 53415193) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)piperidin-4-amine
PubChem CID53415193
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-(3-methoxypropyl)piperidin-4-amine
SMILESCOCCCNC1CCNCC1
InChIInChI=1S/C9H20N2O/c1-12-8-2-5-11-9-3-6-10-7-4-9/h9-11H,2-8H2,1H3
InChIKeyYRGKEQNWGQDELR-UHFFFAOYSA-N
XLogP0.36
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)piperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)piperidin-4-amine (CID 53415193) is N-(3-methoxypropyl)piperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)piperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)piperidin-4-amine is COCCCNC1CCNCC1.
What is the InChIKey of N-(3-methoxypropyl)piperidin-4-amine?
The InChIKey is YRGKEQNWGQDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-8-2-5-11-9-3-6-10-7-4-9/h9-11H,2-8H2,1H3.
What are the key properties of N-(3-methoxypropyl)piperidin-4-amine?
N-(3-methoxypropyl)piperidin-4-amine has a molecular weight of 172.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)piperidin-4-amine is sourced from PubChem (CID 53415193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).