1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane

C19H37N3 — CID 82564943

IUPAC1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
SMILESCCC1CCCCN1CC1CCNCC1N1CCCCCC1
InChIInChI=1S/C19H37N3/c1-2-18-9-5-8-14-22(18)16-17-10-11-20-15-19(17)21-12-6-3-4-7-13-21/h17-20H,2-16H2,1H3
InChIKeyFEUPIKMWYFSWLY-UHFFFAOYSA-N
MW307.53 g/mol
LogP3.11
Rot. Bonds4

About 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane

1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane (PubChem CID 82564943) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane.

Molecular Properties

Compound Name1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
PubChem CID82564943
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
SMILESCCC1CCCCN1CC1CCNCC1N1CCCCCC1
InChIInChI=1S/C19H37N3/c1-2-18-9-5-8-14-22(18)16-17-10-11-20-15-19(17)21-12-6-3-4-7-13-21/h17-20H,2-16H2,1H3
InChIKeyFEUPIKMWYFSWLY-UHFFFAOYSA-N
XLogP3.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
CID 82564799
1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]azepane
CID 82564798
2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
CID 82565054
(2S)-2-ethyl-1-[[(3S)-piperidin-3-yl]methyl]piperidine
CID 124814973
1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 82564930
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
CID 82565018
[2-[(2-ethylazepan-1-yl)methyl]cyclohexyl]methanamine
CID 104690316
(3S)-3-[(2-ethylpyrrolidin-1-yl)methyl]piperidine
CID 130522112
1-[3-(2-ethylpiperidin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 82565050
(2R)-2-ethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidine
CID 124678521
N-ethyl-2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-amine
CID 104692037
2-[1-[[3-(dimethylamino)piperidin-4-yl]methyl]piperidin-2-yl]ethanol
CID 82564786

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane?
The IUPAC name of 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane (CID 82564943) is 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane.
What is the SMILES notation for 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane?
The canonical SMILES for 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane is CCC1CCCCN1CC1CCNCC1N1CCCCCC1.
What is the InChIKey of 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane?
The InChIKey is FEUPIKMWYFSWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-2-18-9-5-8-14-22(18)16-17-10-11-20-15-19(17)21-12-6-3-4-7-13-21/h17-20H,2-16H2,1H3.
What are the key properties of 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane?
1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane has a molecular weight of 307.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane is sourced from PubChem (CID 82564943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).