N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine

C13H20N2O — CID 117314853

IUPACN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccccc1CN1CCCCC1
InChIInChI=1S/C13H20N2O/c16-14-10-12-6-2-3-7-13(12)11-15-8-4-1-5-9-15/h2-3,6-7,14,16H,1,4-5,8-11H2
InChIKeyYYONDRVBSHGVRH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.15
Rot. Bonds4

About N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine

N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine (PubChem CID 117314853) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
PubChem CID117314853
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
SMILESONCc1ccccc1CN1CCCCC1
InChIInChI=1S/C13H20N2O/c16-14-10-12-6-2-3-7-13(12)11-15-8-4-1-5-9-15/h2-3,6-7,14,16H,1,4-5,8-11H2
InChIKeyYYONDRVBSHGVRH-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydrazine
CID 169384769
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 55070158
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 82610599
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
4-[[[2-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031346
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
2-[2-(azocan-1-ylmethyl)phenyl]-N-ethylethanamine
CID 115463559
1-tert-butyl-2-methyl-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110966961

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine (CID 117314853) is N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine is ONCc1ccccc1CN1CCCCC1.
What is the InChIKey of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
The InChIKey is YYONDRVBSHGVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-14-10-12-6-2-3-7-13(12)11-15-8-4-1-5-9-15/h2-3,6-7,14,16H,1,4-5,8-11H2.
What are the key properties of N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine?
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine has a molecular weight of 220.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 117314853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).