2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide

C14H21N3O2 — CID 81303122

IUPAC2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CO
InChIInChI=1S/C14H21N3O2/c1-19-11-5-6-12(14(15)16)13(8-11)17-7-3-2-4-10(17)9-18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H3,15,16)
InChIKeyMJJROEPLPABIJO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.33
Rot. Bonds4

About 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide

2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide (PubChem CID 81303122) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
PubChem CID81303122
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CO
InChIInChI=1S/C14H21N3O2/c1-19-11-5-6-12(14(15)16)13(8-11)17-7-3-2-4-10(17)9-18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H3,15,16)
InChIKeyMJJROEPLPABIJO-UHFFFAOYSA-N
XLogP1.33
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81303118
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methoxybenzenecarboximidamide
CID 81302532
4-methoxy-2-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81302848
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methoxybenzenecarboximidamide
CID 102726594
4-methoxy-2-[(1-methylpiperidin-2-yl)methoxy]benzenecarboximidamide
CID 81302746
4-chloro-2-(2-ethylazepan-1-yl)benzenecarboximidamide
CID 104690052
4-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]benzenecarboximidamide
CID 81299929
2-bromo-6-[2-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 114883654
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
CID 81299371
1-(2-carbamothioyl-5-methoxyphenyl)piperidine-2-carboxamide
CID 81306763
2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide (CID 81303122) is 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The InChIKey is MJJROEPLPABIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-11-5-6-12(14(15)16)13(8-11)17-7-3-2-4-10(17)9-18/h5-6,8,10,18H,2-4,7,9H2,1H3,(H3,15,16).
What are the key properties of 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).