N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine

C14H30N2O — CID 142616141

IUPACN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
SMILESCC(C)CN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14/h13-14H,5-12H2,1-4H3
InChIKeyJVEOYGLSOLDANT-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.93
Rot. Bonds7

About N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine

N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine (PubChem CID 142616141) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
PubChem CID142616141
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine
SMILESCC(C)CN(C)CCOCC1CCN(C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14/h13-14H,5-12H2,1-4H3
InChIKeyJVEOYGLSOLDANT-UHFFFAOYSA-N
XLogP1.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 20201055
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CID 15370628
CID 15370628
CID 12709911
CID 12709911
CID 53790008
CID 53790008
CID 102491214
CID 102491214
CID 121524183
CID 121524183
CID 250521
CID 250521
CID 131199822
CID 131199822
CID 166537460
CID 166537460

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine (CID 142616141) is N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine is CC(C)CN(C)CCOCC1CCN(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
The InChIKey is JVEOYGLSOLDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)11-16(4)9-10-17-12-14-5-7-15(3)8-6-14/h13-14H,5-12H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine?
N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-[(1-methylpiperidin-4-yl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 142616141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).