1-benzyl-4-methylpiperidine-4-carboximidamide

C14H21N3 — CID 107162081

IUPAC1-benzyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3/c1-14(13(15)16)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,15,16)
InChIKeyZQGGQWILYVMBIE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.22
Rot. Bonds3

About 1-benzyl-4-methylpiperidine-4-carboximidamide

1-benzyl-4-methylpiperidine-4-carboximidamide (PubChem CID 107162081) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-benzyl-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-benzyl-4-methylpiperidine-4-carboximidamide
PubChem CID107162081
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-benzyl-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21N3/c1-14(13(15)16)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,15,16)
InChIKeyZQGGQWILYVMBIE-UHFFFAOYSA-N
XLogP2.22
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.22
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

1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 107162129
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107161957
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
4-(aminomethyl)-1-benzylpiperidin-4-ol;hydrochloride
CID 122236517
3-(4-benzylpiperazin-1-yl)propanimidamide
CID 24689819
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162069

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-benzyl-4-methylpiperidine-4-carboximidamide (CID 107162081) is 1-benzyl-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-benzyl-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-benzyl-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-methylpiperidine-4-carboximidamide?
The InChIKey is ZQGGQWILYVMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(13(15)16)7-9-17(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,15,16).
What are the key properties of 1-benzyl-4-methylpiperidine-4-carboximidamide?
1-benzyl-4-methylpiperidine-4-carboximidamide has a molecular weight of 231.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).