3-[(3-methylpiperidin-1-yl)methyl]azepane

C13H26N2 — CID 112546585

IUPAC3-[(3-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCCN(CC2CCCCNC2)C1
InChIInChI=1S/C13H26N2/c1-12-5-4-8-15(10-12)11-13-6-2-3-7-14-9-13/h12-14H,2-11H2,1H3
InChIKeyNZDCISWSDGIBJO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds2

About 3-[(3-methylpiperidin-1-yl)methyl]azepane

3-[(3-methylpiperidin-1-yl)methyl]azepane (PubChem CID 112546585) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-[(3-methylpiperidin-1-yl)methyl]azepane.

Molecular Properties

Compound Name3-[(3-methylpiperidin-1-yl)methyl]azepane
PubChem CID112546585
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name3-[(3-methylpiperidin-1-yl)methyl]azepane
SMILESCC1CCCN(CC2CCCCNC2)C1
InChIInChI=1S/C13H26N2/c1-12-5-4-8-15(10-12)11-13-6-2-3-7-14-9-13/h12-14H,2-11H2,1H3
InChIKeyNZDCISWSDGIBJO-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
(3S)-3-methyl-1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86323532
1-(cyclopentylmethyl)-3-methyl-1,5,9-triazacyclododecane
CID 175833983
3-(methoxymethyl)-1-(piperidin-3-ylmethyl)piperidine
CID 103815846
1-(piperidin-3-ylmethyl)-3-propan-2-ylpiperidine
CID 120848696
6-methyl-4-(piperidin-3-ylmethyl)-1,4-thiazepane;hydrochloride
CID 120853474
3-[(3,4-dimethylpyrrolidin-1-yl)methyl]piperidine
CID 79187862
3-methyl-1-(piperidin-3-ylmethyl)piperidin-4-ol;hydrochloride
CID 120848616
(3R)-3-methyl-1-[[(2R)-piperidin-2-yl]methyl]piperidine
CID 124748585
3-methyl-1-[(3-methylcyclopentyl)methyl]-1,5-diazocane
CID 107415122
3-methyl-1-(oxan-4-ylmethyl)-1,5-diazocane
CID 63712685
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]azepane?
The IUPAC name of 3-[(3-methylpiperidin-1-yl)methyl]azepane (CID 112546585) is 3-[(3-methylpiperidin-1-yl)methyl]azepane.
What is the SMILES notation for 3-[(3-methylpiperidin-1-yl)methyl]azepane?
The canonical SMILES for 3-[(3-methylpiperidin-1-yl)methyl]azepane is CC1CCCN(CC2CCCCNC2)C1.
What is the InChIKey of 3-[(3-methylpiperidin-1-yl)methyl]azepane?
The InChIKey is NZDCISWSDGIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-12-5-4-8-15(10-12)11-13-6-2-3-7-14-9-13/h12-14H,2-11H2,1H3.
What are the key properties of 3-[(3-methylpiperidin-1-yl)methyl]azepane?
3-[(3-methylpiperidin-1-yl)methyl]azepane has a molecular weight of 210.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylpiperidin-1-yl)methyl]azepane is sourced from PubChem (CID 112546585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).