4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide

C18H23N3 — CID 107162057

IUPAC4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3/c1-18(17(19)20)9-11-21(12-10-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H3,19,20)
InChIKeyZJRZKNPYOQNSQS-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.38
Rot. Bonds3

About 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide

4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide (PubChem CID 107162057) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
PubChem CID107162057
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C18H23N3/c1-18(17(19)20)9-11-21(12-10-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H3,19,20)
InChIKeyZJRZKNPYOQNSQS-UHFFFAOYSA-N
XLogP3.38
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.38
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-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
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
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 107162129
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 107404843
amino-[4-anilino-1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 146648697
4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
4-methyl-1-(3-methylquinoxalin-2-yl)piperidine-4-carboximidamide
CID 107162205
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide (CID 107162057) is 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide?
The InChIKey is ZJRZKNPYOQNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-18(17(19)20)9-11-21(12-10-18)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3,(H3,19,20).
What are the key properties of 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide?
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).