(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide

C15H30N4O — CID 96561201

IUPAC(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCOC1CCN(CC/N=C(\N)N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H30N4O/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-/m1/s1
InChIKeyIRRBRVLADNIJNC-CYBMUJFWSA-N
MW282.43 g/mol
LogP1.14
Rot. Bonds4

About (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide

(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 96561201) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
PubChem CID96561201
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide
SMILESCOC1CCN(CC/N=C(\N)N2CCC[C@@H](C)C2)CC1
InChIInChI=1S/C15H30N4O/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-/m1/s1
InChIKeyIRRBRVLADNIJNC-CYBMUJFWSA-N
XLogP1.14
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide (CID 96561201) is (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide is COC1CCN(CC/N=C(\N)N2CCC[C@@H](C)C2)CC1.
What is the InChIKey of (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is IRRBRVLADNIJNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H30N4O/c1-13-4-3-8-19(12-13)15(16)17-7-11-18-9-5-14(20-2)6-10-18/h13-14H,3-12H2,1-2H3,(H2,16,17)/t13-/m1/s1.
What are the key properties of (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide?
(3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-[2-(4-methoxypiperidin-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 96561201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).