N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine

C14H28N2O — CID 55075035

IUPACN-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine
SMILESCOC1CCN(CCCCCNC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-17-14-7-11-16(12-8-14)10-4-2-3-9-15-13-5-6-13/h13-15H,2-12H2,1H3
InChIKeyGZTTYCIKDRMHBN-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds8

About N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine

N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine (PubChem CID 55075035) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine
PubChem CID55075035
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine
SMILESCOC1CCN(CCCCCNC2CC2)CC1
InChIInChI=1S/C14H28N2O/c1-17-14-7-11-16(12-8-14)10-4-2-3-9-15-13-5-6-13/h13-15H,2-12H2,1H3
InChIKeyGZTTYCIKDRMHBN-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
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-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine (CID 55075035) is N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine is COC1CCN(CCCCCNC2CC2)CC1.
What is the InChIKey of N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine?
The InChIKey is GZTTYCIKDRMHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-14-7-11-16(12-8-14)10-4-2-3-9-15-13-5-6-13/h13-15H,2-12H2,1H3.
What are the key properties of N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine?
N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxypiperidin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 55075035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).