1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine

C11H24N2O2 — CID 79707407

IUPAC1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOC(OC)C(C)NCC1CCNCC1
InChIInChI=1S/C11H24N2O2/c1-9(11(14-2)15-3)13-8-10-4-6-12-7-5-10/h9-13H,4-8H2,1-3H3
InChIKeyJPJQTQGQWRQSLC-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.58
Rot. Bonds6

About 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine

1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79707407) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79707407
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOC(OC)C(C)NCC1CCNCC1
InChIInChI=1S/C11H24N2O2/c1-9(11(14-2)15-3)13-8-10-4-6-12-7-5-10/h9-13H,4-8H2,1-3H3
InChIKeyJPJQTQGQWRQSLC-UHFFFAOYSA-N
XLogP0.58
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79708240
3-[(1,1-dimethoxypropan-2-ylamino)methyl]cyclopentan-1-ol
CID 106121090
3,3-dimethyl-2-(piperidin-4-ylmethylamino)butan-1-ol
CID 120848676
3-methyl-N-(piperidin-4-ylmethyl)-2-propan-2-ylbutan-1-amine
CID 102904206
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906
(2S)-N-(cyclobutylmethyl)-3-methylbutan-2-amine
CID 93279768
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
(1S)-1-(2-bromophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81383485
1-(4-chlorophenyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79707723
1-cyclopropyl-1-phenyl-N-(piperidin-4-ylmethyl)methanamine
CID 79707917
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79707407) is 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine is COC(OC)C(C)NCC1CCNCC1.
What is the InChIKey of 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is JPJQTQGQWRQSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-9(11(14-2)15-3)13-8-10-4-6-12-7-5-10/h9-13H,4-8H2,1-3H3.
What are the key properties of 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine?
1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 216.32 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79707407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).