1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide

C14H21N3O — CID 107162140

IUPAC1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(13(15)16)6-8-17(9-7-14)10-11-2-4-12(18)5-3-11/h2-5,18H,6-10H2,1H3,(H3,15,16)
InChIKeyXZOUAPVODBBCTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.93
Rot. Bonds3

About 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide

1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107162140) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107162140
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-14(13(15)16)6-8-17(9-7-14)10-11-2-4-12(18)5-3-11/h2-5,18H,6-10H2,1H3,(H3,15,16)
InChIKeyXZOUAPVODBBCTG-UHFFFAOYSA-N
XLogP1.93
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.93
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

1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 107162129
4-[[4-(aminomethyl)-4-methylpiperidin-1-yl]methyl]phenol
CID 107160669
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-[(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-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162069
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide (CID 107162140) is 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is XZOUAPVODBBCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(13(15)16)6-8-17(9-7-14)10-11-2-4-12(18)5-3-11/h2-5,18H,6-10H2,1H3,(H3,15,16).
What are the key properties of 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide?
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).