4-methyl-1-(2-piperidin-3-ylethyl)azepane

C14H28N2 — CID 63622050

IUPAC4-methyl-1-(2-piperidin-3-ylethyl)azepane
SMILESCC1CCCN(CCC2CCCNC2)CC1
InChIInChI=1S/C14H28N2/c1-13-4-3-9-16(10-6-13)11-7-14-5-2-8-15-12-14/h13-15H,2-12H2,1H3
InChIKeyMGMANOWYINNTSM-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.50
Rot. Bonds3

About 4-methyl-1-(2-piperidin-3-ylethyl)azepane

4-methyl-1-(2-piperidin-3-ylethyl)azepane (PubChem CID 63622050) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-methyl-1-(2-piperidin-3-ylethyl)azepane.

Molecular Properties

Compound Name4-methyl-1-(2-piperidin-3-ylethyl)azepane
PubChem CID63622050
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-methyl-1-(2-piperidin-3-ylethyl)azepane
SMILESCC1CCCN(CCC2CCCNC2)CC1
InChIInChI=1S/C14H28N2/c1-13-4-3-9-16(10-6-13)11-7-14-5-2-8-15-12-14/h13-15H,2-12H2,1H3
InChIKeyMGMANOWYINNTSM-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azetidin-3-yl)ethyl]-4-methylazepane
CID 116680054
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
(3S)-3-methyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124802901
4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
CID 62356507
(3S)-1-[2-[(3S)-piperidin-3-yl]ethyl]pyrrolidin-3-ol
CID 86323422
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
2,3-dimethyl-1-(2-piperidin-3-ylethyl)piperidine
CID 62357037
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
CID 62356152

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-piperidin-3-ylethyl)azepane?
The IUPAC name of 4-methyl-1-(2-piperidin-3-ylethyl)azepane (CID 63622050) is 4-methyl-1-(2-piperidin-3-ylethyl)azepane.
What is the SMILES notation for 4-methyl-1-(2-piperidin-3-ylethyl)azepane?
The canonical SMILES for 4-methyl-1-(2-piperidin-3-ylethyl)azepane is CC1CCCN(CCC2CCCNC2)CC1.
What is the InChIKey of 4-methyl-1-(2-piperidin-3-ylethyl)azepane?
The InChIKey is MGMANOWYINNTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13-4-3-9-16(10-6-13)11-7-14-5-2-8-15-12-14/h13-15H,2-12H2,1H3.
What are the key properties of 4-methyl-1-(2-piperidin-3-ylethyl)azepane?
4-methyl-1-(2-piperidin-3-ylethyl)azepane has a molecular weight of 224.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-piperidin-3-ylethyl)azepane is sourced from PubChem (CID 63622050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).