4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

C15H23N3O — CID 114483641

IUPAC4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC(C)(O)C2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-11-8-12(14(16)17)4-5-13(11)9-18-7-3-6-15(2,19)10-18/h4-5,8,19H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyIIOHMTSKTWCNKE-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.63
Rot. Bonds3

About 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide

4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (PubChem CID 114483641) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
PubChem CID114483641
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCCC(C)(O)C2)c(C)c1
InChIInChI=1S/C15H23N3O/c1-11-8-12(14(16)17)4-5-13(11)9-18-7-3-6-15(2,19)10-18/h4-5,8,19H,3,6-7,9-10H2,1-2H3,(H3,16,17)
InChIKeyIIOHMTSKTWCNKE-UHFFFAOYSA-N
XLogP1.63
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
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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Related Compounds

4-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 107392935
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-3-methylbenzenecarboximidamide
CID 114483448
4-[(3,4-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483636
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 103534175
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483527
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 107404843
4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483551
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483358
4-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483459
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
3-chloro-4-[(2,2-dimethylthiomorpholin-4-yl)methyl]benzenecarboximidamide
CID 102668014
4-[(3,3-dimethylpyrrolidin-1-yl)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482998

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide (CID 114483641) is 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCCC(C)(O)C2)c(C)c1.
What is the InChIKey of 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
The InChIKey is IIOHMTSKTWCNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-8-12(14(16)17)4-5-13(11)9-18-7-3-6-15(2,19)10-18/h4-5,8,19H,3,6-7,9-10H2,1-2H3,(H3,16,17).
What are the key properties of 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide?
4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114483641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).