N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine

C12H24N4O3 — CID 165176108

IUPACN,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C12H24N4O3/c1-14(2)8-11-9-15(5-6-19-11)10-3-4-12(13-7-10)16(17)18/h10-13H,3-9H2,1-2H3
InChIKeyHFDMGAREOWLQRE-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.40
Rot. Bonds4

About N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine

N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine (PubChem CID 165176108) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine
PubChem CID165176108
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine
SMILESCN(C)CC1CN(C2CCC([N+](=O)[O-])NC2)CCO1
InChIInChI=1S/C12H24N4O3/c1-14(2)8-11-9-15(5-6-19-11)10-3-4-12(13-7-10)16(17)18/h10-13H,3-9H2,1-2H3
InChIKeyHFDMGAREOWLQRE-UHFFFAOYSA-N
XLogP-0.40
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine (CID 165176108) is N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine is CN(C)CC1CN(C2CCC([N+](=O)[O-])NC2)CCO1.
What is the InChIKey of N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine?
The InChIKey is HFDMGAREOWLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-14(2)8-11-9-15(5-6-19-11)10-3-4-12(13-7-10)16(17)18/h10-13H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine?
N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(6-nitropiperidin-3-yl)morpholin-2-yl]methanamine is sourced from PubChem (CID 165176108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).