N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine

C14H30N2O — CID 55088796

IUPACN-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC(OC)CC1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16-9-7-14(17-4)8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyTWDRXVSDNYNZBL-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine

N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine (PubChem CID 55088796) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine
PubChem CID55088796
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine
SMILESCCC(CC)NCC(C)N1CCC(OC)CC1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16-9-7-14(17-4)8-10-16/h12-15H,5-11H2,1-4H3
InChIKeyTWDRXVSDNYNZBL-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine?
The IUPAC name of N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine (CID 55088796) is N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine.
What is the SMILES notation for N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine?
The canonical SMILES for N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine is CCC(CC)NCC(C)N1CCC(OC)CC1.
What is the InChIKey of N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine?
The InChIKey is TWDRXVSDNYNZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13(6-2)15-11-12(3)16-9-7-14(17-4)8-10-16/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine?
N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxypiperidin-1-yl)propyl]pentan-3-amine is sourced from PubChem (CID 55088796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).