2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane

C14H28N2 — CID 114421553

IUPAC2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
SMILESCC1CCNC(CN2CCCCCC2C)C1
InChIInChI=1S/C14H28N2/c1-12-7-8-15-14(10-12)11-16-9-5-3-4-6-13(16)2/h12-15H,3-11H2,1-2H3
InChIKeyBSGYAPOZRDZQLZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds2

About 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane

2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane (PubChem CID 114421553) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane.

Molecular Properties

Compound Name2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
PubChem CID114421553
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane
SMILESCC1CCNC(CN2CCCCCC2C)C1
InChIInChI=1S/C14H28N2/c1-12-7-8-15-14(10-12)11-16-9-5-3-4-6-13(16)2/h12-15H,3-11H2,1-2H3
InChIKeyBSGYAPOZRDZQLZ-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(pyrrolidin-2-ylmethyl)piperidine;dihydrochloride
CID 56831768
(3S)-3-[[(2S)-2-methylpiperidin-1-yl]methyl]morpholine
CID 124746471
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
2-methyl-4-[(4-methylpiperidin-2-yl)methyl]thiomorpholine
CID 114421709
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
(2-methylpiperidin-1-yl)methanol
CID 67262865
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
3,5-dimethyl-2-[(2-methylazepan-1-yl)methyl]cyclohexan-1-ol
CID 64736282
2-methyl-1-(pyrrolidin-3-ylmethyl)piperidine;dihydrochloride
CID 56831717
2-[2-(2-methylpyrrolidin-1-yl)ethyl]piperidine
CID 60973343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane?
The IUPAC name of 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane (CID 114421553) is 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane.
What is the SMILES notation for 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane?
The canonical SMILES for 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane is CC1CCNC(CN2CCCCCC2C)C1.
What is the InChIKey of 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane?
The InChIKey is BSGYAPOZRDZQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12-7-8-15-14(10-12)11-16-9-5-3-4-6-13(16)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane?
2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane has a molecular weight of 224.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylpiperidin-2-yl)methyl]azepane is sourced from PubChem (CID 114421553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).