N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline

C16H24ClN3 — CID 79924619

IUPACN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
SMILESClc1ccccc1NCCN1CCN2CCCCC2C1
InChIInChI=1S/C16H24ClN3/c17-15-6-1-2-7-16(15)18-8-10-19-11-12-20-9-4-3-5-14(20)13-19/h1-2,6-7,14,18H,3-5,8-13H2
InChIKeyMPKOUJPFCUZRLQ-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline

N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline (PubChem CID 79924619) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline.

Molecular Properties

Compound NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
PubChem CID79924619
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline
SMILESClc1ccccc1NCCN1CCN2CCCCC2C1
InChIInChI=1S/C16H24ClN3/c17-15-6-1-2-7-16(15)18-8-10-19-11-12-20-9-4-3-5-14(20)13-19/h1-2,6-7,14,18H,3-5,8-13H2
InChIKeyMPKOUJPFCUZRLQ-UHFFFAOYSA-N
XLogP2.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
2-bromo-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63167626
N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butyl]aniline;trihydrochloride
CID 22252291
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
1-[2-(2-chloroanilino)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167572
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-chloroaniline
CID 63502704
1-[2-(2-chloroanilino)ethyl]-N,N-dimethylpiperidin-4-amine
CID 55089751
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900
N-[2-(4-cyclopropylpiperazin-1-yl)ethyl]-2-methylaniline
CID 62558638
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]aniline
CID 62575700

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline?
The IUPAC name of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline (CID 79924619) is N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline.
What is the SMILES notation for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline?
The canonical SMILES for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline is Clc1ccccc1NCCN1CCN2CCCCC2C1.
What is the InChIKey of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline?
The InChIKey is MPKOUJPFCUZRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-15-6-1-2-7-16(15)18-8-10-19-11-12-20-9-4-3-5-14(20)13-19/h1-2,6-7,14,18H,3-5,8-13H2.
What are the key properties of N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline?
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline has a molecular weight of 293.84 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-chloroaniline is sourced from PubChem (CID 79924619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).