4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

C14H21N3O — CID 43246163

IUPAC4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C14H21N3O/c15-14(16)13-3-1-11(2-4-13)9-17-7-5-12(10-18)6-8-17/h1-4,12,18H,5-10H2,(H3,15,16)
InChIKeyFNFIKEVKCBFMFB-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.17
Rot. Bonds4

About 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide

4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 43246163) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
PubChem CID43246163
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CCC(CO)CC2)cc1
InChIInChI=1S/C14H21N3O/c15-14(16)13-3-1-11(2-4-13)9-17-7-5-12(10-18)6-8-17/h1-4,12,18H,5-10H2,(H3,15,16)
InChIKeyFNFIKEVKCBFMFB-UHFFFAOYSA-N
XLogP1.17
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.17
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-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarbothioamide
CID 43246141
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576
[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 63170241
4-[[4-[3-(4-carbamimidoylphenoxy)propylamino]piperidin-1-yl]methyl]benzenecarboximidamide
CID 58996574

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide (CID 43246163) is 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CCC(CO)CC2)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is FNFIKEVKCBFMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(16)13-3-1-11(2-4-13)9-17-7-5-12(10-18)6-8-17/h1-4,12,18H,5-10H2,(H3,15,16).
What are the key properties of 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide?
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 43246163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).