2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C14H27ClN2 — CID 79935954

IUPAC2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(CCCl)CCN1CCN2CCCCC2C1
InChIInChI=1S/C14H27ClN2/c1-13(5-7-15)6-9-16-10-11-17-8-3-2-4-14(17)12-16/h13-14H,2-12H2,1H3
InChIKeyXJWGYOBIQLJIRX-UHFFFAOYSA-N
MW258.84 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 79935954) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID79935954
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(CCCl)CCN1CCN2CCCCC2C1
InChIInChI=1S/C14H27ClN2/c1-13(5-7-15)6-9-16-10-11-17-8-3-2-4-14(17)12-16/h13-14H,2-12H2,1H3
InChIKeyXJWGYOBIQLJIRX-UHFFFAOYSA-N
XLogP2.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112
2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 159084845
2-(3,3-diethoxypropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934926
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
CID 23593660
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)butan-1-ol
CID 79924497
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214
2-(2-ethoxyethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115824243

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 79935954) is 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(CCCl)CCN1CCN2CCCCC2C1.
What is the InChIKey of 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is XJWGYOBIQLJIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2/c1-13(5-7-15)6-9-16-10-11-17-8-3-2-4-14(17)12-16/h13-14H,2-12H2,1H3.
What are the key properties of 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 258.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-methylpentyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 79935954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).