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

C8H16N2O2 — CID 14153813

IUPACN-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide
SMILESCN1CCC(O)(CNC=O)CC1
InChIInChI=1S/C8H16N2O2/c1-10-4-2-8(12,3-5-10)6-9-7-11/h7,12H,2-6H2,1H3,(H,9,11)
InChIKeyMEQSHJHTFJBWBO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.81
Rot. Bonds3

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

N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide (PubChem CID 14153813) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide
PubChem CID14153813
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide
SMILESCN1CCC(O)(CNC=O)CC1
InChIInChI=1S/C8H16N2O2/c1-10-4-2-8(12,3-5-10)6-9-7-11/h7,12H,2-6H2,1H3,(H,9,11)
InChIKeyMEQSHJHTFJBWBO-UHFFFAOYSA-N
XLogP-0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide?
The IUPAC name of N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide (CID 14153813) is N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide is CN1CCC(O)(CNC=O)CC1.
What is the InChIKey of N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide?
The InChIKey is MEQSHJHTFJBWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-4-2-8(12,3-5-10)6-9-7-11/h7,12H,2-6H2,1H3,(H,9,11).
What are the key properties of N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide?
N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide has a molecular weight of 172.23 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 14153813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).