(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide

C12H23N3O — CID 167480759

IUPAC(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCC/C=N\C(=N/C)N1CCC(CO)CC1
InChIInChI=1S/C12H23N3O/c1-3-4-7-14-12(13-2)15-8-5-11(10-16)6-9-15/h7,11,16H,3-6,8-10H2,1-2H3/b13-12+,14-7-
InChIKeyANUMXHZBWTZSCA-QCFRCMIOSA-N
MW225.34 g/mol
LogP1.55
Rot. Bonds3

About (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide

(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 167480759) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID167480759
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCC/C=N\C(=N/C)N1CCC(CO)CC1
InChIInChI=1S/C12H23N3O/c1-3-4-7-14-12(13-2)15-8-5-11(10-16)6-9-15/h7,11,16H,3-6,8-10H2,1-2H3/b13-12+,14-7-
InChIKeyANUMXHZBWTZSCA-QCFRCMIOSA-N
XLogP1.55
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide (CID 167480759) is (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide is CCC/C=N\C(=N/C)N1CCC(CO)CC1.
What is the InChIKey of (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is ANUMXHZBWTZSCA-QCFRCMIOSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-7-14-12(13-2)15-8-5-11(10-16)6-9-15/h7,11,16H,3-6,8-10H2,1-2H3/b13-12+,14-7-.
What are the key properties of (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide?
(NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 225.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-butylidene-4-(hydroxymethyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 167480759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).