3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine

C14H29N3 — CID 64952931

IUPAC3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
SMILESCCC1CN(CC2CCN(CC)CC2)CCN1
InChIInChI=1S/C14H29N3/c1-3-14-12-17(10-7-15-14)11-13-5-8-16(4-2)9-6-13/h13-15H,3-12H2,1-2H3
InChIKeyFHWXMTZRAQJNPH-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds4

About 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine

3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine (PubChem CID 64952931) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
PubChem CID64952931
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
SMILESCCC1CN(CC2CCN(CC)CC2)CCN1
InChIInChI=1S/C14H29N3/c1-3-14-12-17(10-7-15-14)11-13-5-8-16(4-2)9-6-13/h13-15H,3-12H2,1-2H3
InChIKeyFHWXMTZRAQJNPH-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
CID 114225345
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 64944188
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
1-[(1-ethylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-1,4-diazepane
CID 103371982
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
3-ethyl-1-pentylpiperazine
CID 64832988
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
3-ethyl-1-(3-methylbut-2-enyl)piperazine
CID 107901348

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine (CID 64952931) is 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine is CCC1CN(CC2CCN(CC)CC2)CCN1.
What is the InChIKey of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine?
The InChIKey is FHWXMTZRAQJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-14-12-17(10-7-15-14)11-13-5-8-16(4-2)9-6-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine?
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 64952931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).