N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine

C10H22N2O — CID 26190511

IUPACN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine
SMILESCN(C)CCOC[C@H]1CCCNC1
InChIInChI=1S/C10H22N2O/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyIJZNEJQMUZYHAQ-JTQLQIEISA-N
MW186.30 g/mol
LogP0.56
Rot. Bonds5

About N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine

N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine (PubChem CID 26190511) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine
PubChem CID26190511
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine
SMILESCN(C)CCOC[C@H]1CCCNC1
InChIInChI=1S/C10H22N2O/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyIJZNEJQMUZYHAQ-JTQLQIEISA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine (CID 26190511) is N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine is CN(C)CCOC[C@H]1CCCNC1.
What is the InChIKey of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine?
The InChIKey is IJZNEJQMUZYHAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(2)6-7-13-9-10-4-3-5-11-8-10/h10-11H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3S)-piperidin-3-yl]methoxy]ethanamine is sourced from PubChem (CID 26190511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).