(3S)-3-methoxypiperidine-1-carboximidamide

C7H15N3O — CID 129383624

IUPAC(3S)-3-methoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](OC)C1
InChIInChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/t6-/m0/s1
InChIKeyWSTRANFAVUUHHU-LURJTMIESA-N
MW157.22 g/mol
LogP-0.01
Rot. Bonds1

About (3S)-3-methoxypiperidine-1-carboximidamide

(3S)-3-methoxypiperidine-1-carboximidamide (PubChem CID 129383624) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (3S)-3-methoxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-3-methoxypiperidine-1-carboximidamide
PubChem CID129383624
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(3S)-3-methoxypiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H](OC)C1
InChIInChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/t6-/m0/s1
InChIKeyWSTRANFAVUUHHU-LURJTMIESA-N
XLogP-0.01
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxypiperidine-1-carboximidamide
CID 19089238
3-methoxyazetidine-1-carboximidamide;hydrochloride
CID 154776397
N-(diaminomethylidene)-3-methoxypiperidine-1-carboximidamide
CID 102963277
1-(3-methoxypiperidin-1-yl)-2-methylpropan-1-imine
CID 102971289
3-methoxypiperidine-1-carbothioamide
CID 102963097
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
3-methoxypiperidine-1-carbonyl chloride
CID 102969135
N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
(3S)-3-fluoropyrrolidine-1-carboximidamide
CID 129494117
(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptane-3-carboximidamide
CID 129495415
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxypiperidine-1-carboximidamide?
The IUPAC name of (3S)-3-methoxypiperidine-1-carboximidamide (CID 129383624) is (3S)-3-methoxypiperidine-1-carboximidamide.
What is the SMILES notation for (3S)-3-methoxypiperidine-1-carboximidamide?
The canonical SMILES for (3S)-3-methoxypiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@H](OC)C1.
What is the InChIKey of (3S)-3-methoxypiperidine-1-carboximidamide?
The InChIKey is WSTRANFAVUUHHU-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N3O/c1-11-6-3-2-4-10(5-6)7(8)9/h6H,2-5H2,1H3,(H3,8,9)/t6-/m0/s1.
What are the key properties of (3S)-3-methoxypiperidine-1-carboximidamide?
(3S)-3-methoxypiperidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxypiperidine-1-carboximidamide is sourced from PubChem (CID 129383624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).