3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane

C13H27N3 — CID 171564874

IUPAC3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
SMILESCC1CCN(CC2CCNCC2)CC(C)N1
InChIInChI=1S/C13H27N3/c1-11-5-8-16(9-12(2)15-11)10-13-3-6-14-7-4-13/h11-15H,3-10H2,1-2H3
InChIKeyFHEBMURFLGSHGF-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.06
Rot. Bonds2

About 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane

3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane (PubChem CID 171564874) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane.

Molecular Properties

Compound Name3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
PubChem CID171564874
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane
SMILESCC1CCN(CC2CCNCC2)CC(C)N1
InChIInChI=1S/C13H27N3/c1-11-5-8-16(9-12(2)15-11)10-13-3-6-14-7-4-13/h11-15H,3-10H2,1-2H3
InChIKeyFHEBMURFLGSHGF-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
4-[(3-cyclopropylpyrrolidin-1-yl)methyl]piperidine;hydrochloride
CID 120849683
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
2-[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115741583
4-methyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119930987
6-methyl-4-(piperidin-4-ylmethyl)-1,4-oxazepane
CID 120848898

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane?
The IUPAC name of 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane (CID 171564874) is 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane.
What is the SMILES notation for 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane?
The canonical SMILES for 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane is CC1CCN(CC2CCNCC2)CC(C)N1.
What is the InChIKey of 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane?
The InChIKey is FHEBMURFLGSHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11-5-8-16(9-12(2)15-11)10-13-3-6-14-7-4-13/h11-15H,3-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane?
3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(piperidin-4-ylmethyl)-1,4-diazepane is sourced from PubChem (CID 171564874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).