1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine

C16H30N2 — CID 64952280

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-4-15-9-17-11(2)10-18(15)12(3)16-8-13-5-6-14(16)7-13/h11-17H,4-10H2,1-3H3
InChIKeyMMYDBHNPOSFNIB-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine (PubChem CID 64952280) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
PubChem CID64952280
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine
SMILESCCC1CNC(C)CN1C(C)C1CC2CCC1C2
InChIInChI=1S/C16H30N2/c1-4-15-9-17-11(2)10-18(15)12(3)16-8-13-5-6-14(16)7-13/h11-17H,4-10H2,1-3H3
InChIKeyMMYDBHNPOSFNIB-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
CID 96769528
1-(1-cyclohexylethyl)-2-ethyl-5-methylpiperazine
CID 64937210
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-ethyl-2-propan-2-ylpiperazine
CID 64930178
2-ethyl-5-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938399
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5,5-diethyl-2-methylpiperazine
CID 64933143
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylpiperazine-2-carboxamide
CID 63104541
(5-methyl-1-propan-2-ylpiperazin-2-yl)methanol
CID 82240916
(2R,5S)-1-[bis(4-chlorophenyl)methyl]-2-ethyl-5-methylpiperazine;hydrochloride
CID 170433659
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N,2-dimethylpiperidin-4-amine
CID 54975374
2-ethyl-1-(3-ethylpentan-3-yl)-5-methylpiperazine
CID 65043395
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methylimidazolidin-4-one
CID 83237826
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine (CID 64952280) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine is CCC1CNC(C)CN1C(C)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine?
The InChIKey is MMYDBHNPOSFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-15-9-17-11(2)10-18(15)12(3)16-8-13-5-6-14(16)7-13/h11-17H,4-10H2,1-3H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-ethyl-5-methylpiperazine is sourced from PubChem (CID 64952280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).