4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine

C14H28N2O2 — CID 174255823

IUPAC4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
SMILESCOC(OC)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C14H28N2O2/c1-17-14(18-2)13-5-8-16(9-6-13)11-12-4-3-7-15-10-12/h12-15H,3-11H2,1-2H3
InChIKeyALZZQZQJZKEWPP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.32
Rot. Bonds5

About 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine

4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine (PubChem CID 174255823) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
PubChem CID174255823
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
SMILESCOC(OC)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C14H28N2O2/c1-17-14(18-2)13-5-8-16(9-6-13)11-12-4-3-7-15-10-12/h12-15H,3-11H2,1-2H3
InChIKeyALZZQZQJZKEWPP-UHFFFAOYSA-N
XLogP1.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
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

[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
4-tert-butyl-1-[[(3R)-piperidin-3-yl]methyl]piperidine;ethane
CID 166490138
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 120847679
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
(3S)-3-[(3-ethyl-3-methylazetidin-1-yl)methyl]piperidine
CID 131186194
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
4-fluoro-4-methyl-1-(piperidin-3-ylmethyl)piperidine
CID 115028862
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
3-[(3,3-dimethylazetidin-1-yl)methyl]piperidine
CID 79678705

Frequently Asked Questions

What is the IUPAC name of 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine?
The IUPAC name of 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine (CID 174255823) is 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine.
What is the SMILES notation for 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine?
The canonical SMILES for 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine is COC(OC)C1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine?
The InChIKey is ALZZQZQJZKEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-14(18-2)13-5-8-16(9-6-13)11-12-4-3-7-15-10-12/h12-15H,3-11H2,1-2H3.
What are the key properties of 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine?
4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine has a molecular weight of 256.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)-1-(piperidin-3-ylmethyl)piperidine is sourced from PubChem (CID 174255823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).