3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

C10H21N3O — CID 43368124

IUPAC3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)6-13-4-2-9(7-14)3-5-13/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyYBDSNDYKUYUYSN-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.26
Rot. Bonds4

About 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 43368124) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID43368124
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCC(CO)CC1
InChIInChI=1S/C10H21N3O/c1-8(10(11)12)6-13-4-2-9(7-14)3-5-13/h8-9,14H,2-7H2,1H3,(H3,11,12)
InChIKeyYBDSNDYKUYUYSN-UHFFFAOYSA-N
XLogP0.26
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.26
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

3,3,3-trifluoro-N'-hydroxy-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-Trifluoro-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103370562
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-Trifluoro-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836177
3,3,3-Trifluoro-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 107227653
3,3,3-Trifluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808159
3-Imino-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 20637163
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
(1-Ethanimidoylpiperidin-4-yl)methanol
CID 59020702
2-(1-Ethanimidoylpiperidin-3-yl)ethanol
CID 59020818
2-(1-Ethanimidoylpiperidin-4-yl)ethanol
CID 59020836
(1-Ethanimidoylpiperidin-4-yl)methanediol
CID 142132193

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (CID 43368124) is 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is YBDSNDYKUYUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(11)12)6-13-4-2-9(7-14)3-5-13/h8-9,14H,2-7H2,1H3,(H3,11,12).
What are the key properties of 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 43368124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).