1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine

C10H20N2O — CID 130485929

IUPAC1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(OC)CC1C
InChIInChI=1S/C10H20N2O/c1-4-10(11)12-6-5-9(13-3)7-8(12)2/h8-9,11H,4-7H2,1-3H3/b11-10+
InChIKeyNRCKEMCCEACQSF-ZHACJKMWSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine

1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine (PubChem CID 130485929) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine
PubChem CID130485929
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CCC(OC)CC1C
InChIInChI=1S/C10H20N2O/c1-4-10(11)12-6-5-9(13-3)7-8(12)2/h8-9,11H,4-7H2,1-3H3/b11-10+
InChIKeyNRCKEMCCEACQSF-ZHACJKMWSA-N
XLogP1.87
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-Methoxypiperidin-1-yl)ethanimine
CID 18727529
1-[4-[(2-Methylpropan-2-yl)oxy]piperidin-1-yl]ethanimine
CID 20765497
1-[4-(Propan-2-yloxy)piperidin-1-yl]ethan-1-imine
CID 117882710
Methane;1-(4-methoxypiperidin-1-yl)ethanimine
CID 159843772
Hexane;1-methanimidoyl-4-methoxypiperidin-2-imine
CID 168894284
4-(4-Ethoxy-2-iminopiperidin-1-yl)butan-1-amine
CID 174831682
1-Ethanimidoyl-2,6-dimethylpiperidin-4-ol
CID 177033685
3-(4-Methoxypiperidin-1-yl)pentanimidamide
CID 43372991
4-(4-Methoxypiperidin-1-yl)butanimidamide
CID 43372995
3-(4-Methoxypiperidin-1-yl)propanimidamide
CID 43372996
3-(4-Methoxypiperidin-1-yl)butanimidamide
CID 60913510
4-(4-Ethoxypiperidin-1-yl)butanimidamide
CID 61219379

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine (CID 130485929) is 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine is [H]/N=C(\CC)N1CCC(OC)CC1C.
What is the InChIKey of 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine?
The InChIKey is NRCKEMCCEACQSF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(11)12-6-5-9(13-3)7-8(12)2/h8-9,11H,4-7H2,1-3H3/b11-10+.
What are the key properties of 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine?
1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 130485929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).