N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine

C15H30N2O — CID 102968310

IUPACN-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
SMILESCOC1CN(CCCNC2CCCC2)CCC1C
InChIInChI=1S/C15H30N2O/c1-13-8-11-17(12-15(13)18-2)10-5-9-16-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3
InChIKeyVNYMOHRVKISVST-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds6

About N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine

N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine (PubChem CID 102968310) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
PubChem CID102968310
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
SMILESCOC1CN(CCCNC2CCCC2)CCC1C
InChIInChI=1S/C15H30N2O/c1-13-8-11-17(12-15(13)18-2)10-5-9-16-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3
InChIKeyVNYMOHRVKISVST-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.27
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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Related Compounds

1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
CID 102964339
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63619488
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
2-methoxy-N-(3-piperidin-1-ylpropyl)cyclohexan-1-amine
CID 43768293
2-[2-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 102965459
N-[2-(3,4-dimethoxypyrrolidin-1-yl)ethyl]cyclopropanamine
CID 103532423

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine (CID 102968310) is N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine is COC1CN(CCCNC2CCCC2)CCC1C.
What is the InChIKey of N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine?
The InChIKey is VNYMOHRVKISVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13-8-11-17(12-15(13)18-2)10-5-9-16-14-6-3-4-7-14/h13-16H,3-12H2,1-2H3.
What are the key properties of N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine?
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 102968310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).