N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide

C9H18N2O — CID 64992690

IUPACN-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide
SMILESCN(C=O)CC1CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-10-5-3-9(4-6-10)7-11(2)8-12/h8-9H,3-7H2,1-2H3
InChIKeyHRPZWIMKBZVBBB-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.42
Rot. Bonds3

About N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide

N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide (PubChem CID 64992690) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide
PubChem CID64992690
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide
SMILESCN(C=O)CC1CCN(C)CC1
InChIInChI=1S/C9H18N2O/c1-10-5-3-9(4-6-10)7-11(2)8-12/h8-9H,3-7H2,1-2H3
InChIKeyHRPZWIMKBZVBBB-UHFFFAOYSA-N
XLogP0.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide (CID 64992690) is N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide is CN(C=O)CC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide?
The InChIKey is HRPZWIMKBZVBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-5-3-9(4-6-10)7-11(2)8-12/h8-9H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide?
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide has a molecular weight of 170.26 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 64992690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).