(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide

C12H23N3O — CID 166914999

IUPAC(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
SMILESCCN/C(=N\C)[C@@H]1CC[C@H](C)N(C(C)=O)C1
InChIInChI=1S/C12H23N3O/c1-5-14-12(13-4)11-7-6-9(2)15(8-11)10(3)16/h9,11H,5-8H2,1-4H3,(H,13,14)/t9-,11+/m0/s1
InChIKeyBKXFWDJOFHUIEN-GXSJLCMTSA-N
MW225.34 g/mol
LogP1.27
Rot. Bonds2

About (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide

(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide (PubChem CID 166914999) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide.

Molecular Properties

Compound Name(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
PubChem CID166914999
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide
SMILESCCN/C(=N\C)[C@@H]1CC[C@H](C)N(C(C)=O)C1
InChIInChI=1S/C12H23N3O/c1-5-14-12(13-4)11-7-6-9(2)15(8-11)10(3)16/h9,11H,5-8H2,1-4H3,(H,13,14)/t9-,11+/m0/s1
InChIKeyBKXFWDJOFHUIEN-GXSJLCMTSA-N
XLogP1.27
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
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

N-(1-ethanimidoylpiperidin-4-yl)acetamide
CID 89316575
2-Ethyl-1-methyl-4-piperidin-4-yl-4,5-dihydropyrimidin-6-one
CID 90089683
2-ethyl-4-piperidin-4-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 90089791
N-[1-amino-4-imino-2-[4-(2-methylpropylamino)piperidine-1-carboximidoyl]pentylidene]acetamide
CID 123508522
(5S)-6-[(2R)-3-methylbutan-2-yl]imino-5-(2-methylpropyl)piperazin-2-one
CID 136028515
(5R)-6-[(2R)-3-methylbutan-2-yl]imino-5-(2-methylpropyl)piperazin-2-one
CID 136028521
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
1-acetyl-N'-methylpiperidine-3-carboximidamide
CID 153615686
cis-1-Acetyl-6-methyl-piperidine-3-carboxamidine
CID 154943198
Rel-(3R,6S)-1-acetyl-6-methylpiperidine-3-carboximidamide
CID 155905544
(3R,6R)-1-acetyl-6-ethenyl-N-ethyl-N'-methylpiperidine-3-carboximidamide
CID 166915138
N,N'-dimethyl-1-propanoylpiperidine-3-carboximidamide
CID 169661791

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide?
The IUPAC name of (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide (CID 166914999) is (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide.
What is the SMILES notation for (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide?
The canonical SMILES for (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide is CCN/C(=N\C)[C@@H]1CC[C@H](C)N(C(C)=O)C1.
What is the InChIKey of (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide?
The InChIKey is BKXFWDJOFHUIEN-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-14-12(13-4)11-7-6-9(2)15(8-11)10(3)16/h9,11H,5-8H2,1-4H3,(H,13,14)/t9-,11+/m0/s1.
What are the key properties of (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide?
(3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-acetyl-N-ethyl-N',6-dimethylpiperidine-3-carboximidamide is sourced from PubChem (CID 166914999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).